USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 SER OG : rot 180:sc= -1.47! USER MOD Set 1.2: A 67 ASN : amide:sc= 0.745 K(o=-0.73,f=-1.7) USER MOD Set 2.1: A 18 THR OG1 : rot 120:sc= -0.411 USER MOD Set 2.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.168 (180deg=-0.693) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.19 (180deg=0.958) USER MOD Single : A 3 LYS NZ :NH3+ -109:sc= 1.25 (180deg=-0.443) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -99:sc= 0.00837 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 38 CYS SG : rot -9:sc= -0.784 USER MOD Single : A 39 HIS : no HE2:sc= 0.311 K(o=0.31,f=-3.1!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.441 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -37:sc= 0.109 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -158:sc= 0 (180deg=-0.593) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -145:sc= -0.288 (180deg=-0.296) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0.477 (180deg=0.184) USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0616) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.204 2.580 -5.669 1.00 52.23 N1+ ATOM 2 CA MET A 1 -0.825 1.999 -4.361 1.00 42.25 C ATOM 3 C MET A 1 0.614 1.491 -4.443 1.00 61.24 C ATOM 4 O MET A 1 1.421 2.039 -5.191 1.00 32.02 O ATOM 5 CB MET A 1 -1.783 0.850 -4.012 1.00 22.10 C ATOM 6 CG MET A 1 -1.840 0.512 -2.528 1.00 52.40 C ATOM 7 SD MET A 1 -2.821 -0.966 -2.192 1.00 15.25 S ATOM 8 CE MET A 1 -4.394 -0.489 -2.900 1.00 63.35 C ATOM 0 H1 MET A 1 -2.240 2.648 -5.732 1.00 52.23 H new ATOM 0 H2 MET A 1 -0.789 3.529 -5.761 1.00 52.23 H new ATOM 0 H3 MET A 1 -0.850 1.972 -6.435 1.00 52.23 H new ATOM 0 HA MET A 1 -0.893 2.756 -3.580 1.00 42.25 H new ATOM 0 HB2 MET A 1 -2.785 1.112 -4.352 1.00 22.10 H new ATOM 0 HB3 MET A 1 -1.481 -0.040 -4.564 1.00 22.10 H new ATOM 0 HG2 MET A 1 -0.827 0.365 -2.153 1.00 52.40 H new ATOM 0 HG3 MET A 1 -2.262 1.356 -1.982 1.00 52.40 H new ATOM 0 HE1 MET A 1 -5.180 -1.133 -2.506 1.00 63.35 H new ATOM 0 HE2 MET A 1 -4.610 0.547 -2.641 1.00 63.35 H new ATOM 0 HE3 MET A 1 -4.351 -0.591 -3.984 1.00 63.35 H new ATOM 20 N VAL A 2 0.949 0.484 -3.643 1.00 22.20 N ATOM 21 CA VAL A 2 2.221 -0.213 -3.783 1.00 75.50 C ATOM 22 C VAL A 2 2.022 -1.500 -4.580 1.00 2.33 C ATOM 23 O VAL A 2 2.964 -2.056 -5.145 1.00 15.11 O ATOM 24 CB VAL A 2 2.852 -0.548 -2.414 1.00 3.55 C ATOM 25 CG1 VAL A 2 3.303 0.717 -1.702 1.00 34.44 C ATOM 26 CG2 VAL A 2 1.875 -1.328 -1.543 1.00 1.31 C ATOM 0 H VAL A 2 0.356 0.133 -2.891 1.00 22.20 H new ATOM 0 HA VAL A 2 2.903 0.454 -4.311 1.00 75.50 H new ATOM 0 HB VAL A 2 3.727 -1.172 -2.592 1.00 3.55 H new ATOM 0 HG11 VAL A 2 3.744 0.456 -0.740 1.00 34.44 H new ATOM 0 HG12 VAL A 2 4.044 1.234 -2.312 1.00 34.44 H new ATOM 0 HG13 VAL A 2 2.445 1.370 -1.542 1.00 34.44 H new ATOM 0 HG21 VAL A 2 2.342 -1.553 -0.584 1.00 1.31 H new ATOM 0 HG22 VAL A 2 0.978 -0.731 -1.379 1.00 1.31 H new ATOM 0 HG23 VAL A 2 1.606 -2.259 -2.042 1.00 1.31 H new ATOM 36 N LYS A 3 0.780 -1.966 -4.609 1.00 41.04 N ATOM 37 CA LYS A 3 0.408 -3.138 -5.387 1.00 60.51 C ATOM 38 C LYS A 3 -0.248 -2.691 -6.690 1.00 14.54 C ATOM 39 O LYS A 3 -1.465 -2.519 -6.757 1.00 54.32 O ATOM 40 CB LYS A 3 -0.562 -4.027 -4.596 1.00 74.33 C ATOM 41 CG LYS A 3 -0.024 -4.510 -3.254 1.00 31.32 C ATOM 42 CD LYS A 3 0.567 -5.913 -3.334 1.00 32.41 C ATOM 43 CE LYS A 3 1.895 -5.943 -4.072 1.00 14.45 C ATOM 44 NZ LYS A 3 2.428 -7.327 -4.174 1.00 44.01 N1+ ATOM 0 H LYS A 3 0.006 -1.544 -4.096 1.00 41.04 H new ATOM 0 HA LYS A 3 1.306 -3.716 -5.605 1.00 60.51 H new ATOM 0 HB2 LYS A 3 -1.485 -3.474 -4.425 1.00 74.33 H new ATOM 0 HB3 LYS A 3 -0.818 -4.895 -5.204 1.00 74.33 H new ATOM 0 HG2 LYS A 3 0.740 -3.817 -2.901 1.00 31.32 H new ATOM 0 HG3 LYS A 3 -0.828 -4.499 -2.518 1.00 31.32 H new ATOM 0 HD2 LYS A 3 0.706 -6.303 -2.326 1.00 32.41 H new ATOM 0 HD3 LYS A 3 -0.140 -6.573 -3.837 1.00 32.41 H new ATOM 0 HE2 LYS A 3 1.767 -5.526 -5.071 1.00 14.45 H new ATOM 0 HE3 LYS A 3 2.616 -5.311 -3.553 1.00 14.45 H new ATOM 0 HZ1 LYS A 3 3.256 -7.427 -3.553 1.00 44.01 H new ATOM 0 HZ2 LYS A 3 1.694 -8.004 -3.884 1.00 44.01 H new ATOM 0 HZ3 LYS A 3 2.708 -7.520 -5.157 1.00 44.01 H new ATOM 58 N ASP A 4 0.562 -2.471 -7.713 1.00 63.03 N ATOM 59 CA ASP A 4 0.062 -1.958 -8.982 1.00 51.30 C ATOM 60 C ASP A 4 0.410 -2.921 -10.106 1.00 33.03 C ATOM 61 O ASP A 4 -0.447 -3.651 -10.597 1.00 24.04 O ATOM 62 CB ASP A 4 0.663 -0.581 -9.284 1.00 13.24 C ATOM 63 CG ASP A 4 0.636 0.351 -8.090 1.00 11.25 C ATOM 64 OD1 ASP A 4 -0.360 1.092 -7.918 1.00 22.12 O ATOM 65 OD2 ASP A 4 1.615 0.350 -7.324 1.00 52.11 O ATOM 0 H ASP A 4 1.568 -2.639 -7.691 1.00 63.03 H new ATOM 0 HA ASP A 4 -1.021 -1.860 -8.908 1.00 51.30 H new ATOM 0 HB2 ASP A 4 1.693 -0.705 -9.618 1.00 13.24 H new ATOM 0 HB3 ASP A 4 0.114 -0.124 -10.107 1.00 13.24 H new ATOM 70 N GLU A 5 1.677 -2.929 -10.497 1.00 64.34 N ATOM 71 CA GLU A 5 2.154 -3.850 -11.522 1.00 53.15 C ATOM 72 C GLU A 5 2.495 -5.195 -10.901 1.00 51.53 C ATOM 73 O GLU A 5 2.289 -6.241 -11.508 1.00 11.33 O ATOM 74 CB GLU A 5 3.391 -3.297 -12.242 1.00 71.22 C ATOM 75 CG GLU A 5 3.122 -2.089 -13.128 1.00 13.15 C ATOM 76 CD GLU A 5 2.746 -0.852 -12.346 1.00 4.50 C ATOM 77 OE1 GLU A 5 1.605 -0.372 -12.501 1.00 23.12 O ATOM 78 OE2 GLU A 5 3.597 -0.356 -11.576 1.00 70.22 O ATOM 0 H GLU A 5 2.394 -2.309 -10.121 1.00 64.34 H new ATOM 0 HA GLU A 5 1.354 -3.972 -12.252 1.00 53.15 H new ATOM 0 HB2 GLU A 5 4.138 -3.025 -11.496 1.00 71.22 H new ATOM 0 HB3 GLU A 5 3.824 -4.089 -12.852 1.00 71.22 H new ATOM 0 HG2 GLU A 5 4.010 -1.879 -13.724 1.00 13.15 H new ATOM 0 HG3 GLU A 5 2.319 -2.329 -13.825 1.00 13.15 H new ATOM 85 N LYS A 6 3.004 -5.155 -9.679 1.00 53.31 N ATOM 86 CA LYS A 6 3.433 -6.362 -8.986 1.00 72.25 C ATOM 87 C LYS A 6 2.384 -6.789 -7.965 1.00 42.22 C ATOM 88 O LYS A 6 2.714 -7.317 -6.904 1.00 25.30 O ATOM 89 CB LYS A 6 4.786 -6.137 -8.292 1.00 72.12 C ATOM 90 CG LYS A 6 5.936 -5.836 -9.249 1.00 5.35 C ATOM 91 CD LYS A 6 6.017 -4.359 -9.614 1.00 2.52 C ATOM 92 CE LYS A 6 6.558 -3.524 -8.463 1.00 12.21 C ATOM 93 NZ LYS A 6 6.569 -2.070 -8.782 1.00 50.24 N1+ ATOM 0 H LYS A 6 3.131 -4.296 -9.144 1.00 53.31 H new ATOM 0 HA LYS A 6 3.550 -7.156 -9.723 1.00 72.25 H new ATOM 0 HB2 LYS A 6 4.688 -5.311 -7.588 1.00 72.12 H new ATOM 0 HB3 LYS A 6 5.035 -7.024 -7.710 1.00 72.12 H new ATOM 0 HG2 LYS A 6 6.876 -6.147 -8.792 1.00 5.35 H new ATOM 0 HG3 LYS A 6 5.813 -6.426 -10.157 1.00 5.35 H new ATOM 0 HD2 LYS A 6 6.658 -4.234 -10.487 1.00 2.52 H new ATOM 0 HD3 LYS A 6 5.027 -3.998 -9.892 1.00 2.52 H new ATOM 0 HE2 LYS A 6 5.950 -3.695 -7.575 1.00 12.21 H new ATOM 0 HE3 LYS A 6 7.570 -3.850 -8.224 1.00 12.21 H new ATOM 0 HZ1 LYS A 6 6.945 -1.539 -7.970 1.00 50.24 H new ATOM 0 HZ2 LYS A 6 7.170 -1.902 -9.614 1.00 50.24 H new ATOM 0 HZ3 LYS A 6 5.600 -1.752 -8.985 1.00 50.24 H new ATOM 107 N SER A 7 1.119 -6.574 -8.303 1.00 61.24 N ATOM 108 CA SER A 7 0.012 -6.894 -7.411 1.00 64.51 C ATOM 109 C SER A 7 -0.145 -8.408 -7.235 1.00 12.25 C ATOM 110 O SER A 7 -0.554 -8.875 -6.169 1.00 11.15 O ATOM 111 CB SER A 7 -1.279 -6.280 -7.959 1.00 21.53 C ATOM 112 OG SER A 7 -1.437 -6.576 -9.337 1.00 31.32 O ATOM 0 H SER A 7 0.833 -6.176 -9.197 1.00 61.24 H new ATOM 0 HA SER A 7 0.226 -6.472 -6.429 1.00 64.51 H new ATOM 0 HB2 SER A 7 -2.133 -6.663 -7.401 1.00 21.53 H new ATOM 0 HB3 SER A 7 -1.262 -5.200 -7.815 1.00 21.53 H new ATOM 0 HG SER A 7 -1.152 -5.806 -9.872 1.00 31.32 H new ATOM 118 N LYS A 8 0.206 -9.152 -8.290 1.00 41.02 N ATOM 119 CA LYS A 8 0.124 -10.615 -8.318 1.00 55.23 C ATOM 120 C LYS A 8 -1.320 -11.106 -8.408 1.00 75.43 C ATOM 121 O LYS A 8 -2.271 -10.335 -8.269 1.00 71.35 O ATOM 122 CB LYS A 8 0.842 -11.249 -7.118 1.00 0.44 C ATOM 123 CG LYS A 8 2.356 -11.128 -7.185 1.00 31.25 C ATOM 124 CD LYS A 8 2.902 -11.757 -8.456 1.00 74.51 C ATOM 125 CE LYS A 8 4.406 -11.584 -8.573 1.00 70.11 C ATOM 126 NZ LYS A 8 4.913 -12.078 -9.880 1.00 43.22 N1+ ATOM 0 H LYS A 8 0.559 -8.749 -9.158 1.00 41.02 H new ATOM 0 HA LYS A 8 0.638 -10.937 -9.223 1.00 55.23 H new ATOM 0 HB2 LYS A 8 0.488 -10.777 -6.202 1.00 0.44 H new ATOM 0 HB3 LYS A 8 0.572 -12.303 -7.058 1.00 0.44 H new ATOM 0 HG2 LYS A 8 2.642 -10.077 -7.145 1.00 31.25 H new ATOM 0 HG3 LYS A 8 2.801 -11.613 -6.316 1.00 31.25 H new ATOM 0 HD2 LYS A 8 2.657 -12.819 -8.470 1.00 74.51 H new ATOM 0 HD3 LYS A 8 2.416 -11.306 -9.322 1.00 74.51 H new ATOM 0 HE2 LYS A 8 4.662 -10.531 -8.457 1.00 70.11 H new ATOM 0 HE3 LYS A 8 4.899 -12.123 -7.764 1.00 70.11 H new ATOM 0 HZ1 LYS A 8 5.943 -11.944 -9.926 1.00 43.22 H new ATOM 0 HZ2 LYS A 8 4.690 -13.089 -9.979 1.00 43.22 H new ATOM 0 HZ3 LYS A 8 4.461 -11.547 -10.651 1.00 43.22 H new ATOM 140 N THR A 9 -1.462 -12.397 -8.667 1.00 5.14 N ATOM 141 CA THR A 9 -2.761 -13.009 -8.882 1.00 4.42 C ATOM 142 C THR A 9 -3.363 -13.516 -7.572 1.00 23.23 C ATOM 143 O THR A 9 -2.661 -14.069 -6.718 1.00 75.53 O ATOM 144 CB THR A 9 -2.639 -14.190 -9.865 1.00 53.32 C ATOM 145 OG1 THR A 9 -1.818 -13.814 -10.978 1.00 33.14 O ATOM 146 CG2 THR A 9 -4.006 -14.629 -10.368 1.00 72.04 C ATOM 0 H THR A 9 -0.680 -13.048 -8.734 1.00 5.14 H new ATOM 0 HA THR A 9 -3.417 -12.244 -9.298 1.00 4.42 H new ATOM 0 HB THR A 9 -2.182 -15.026 -9.335 1.00 53.32 H new ATOM 0 HG1 THR A 9 -1.743 -14.569 -11.599 1.00 33.14 H new ATOM 0 HG21 THR A 9 -3.889 -15.463 -11.059 1.00 72.04 H new ATOM 0 HG22 THR A 9 -4.621 -14.941 -9.524 1.00 72.04 H new ATOM 0 HG23 THR A 9 -4.489 -13.798 -10.881 1.00 72.04 H new ATOM 154 N LEU A 10 -4.661 -13.315 -7.415 1.00 35.14 N ATOM 155 CA LEU A 10 -5.387 -13.848 -6.277 1.00 1.24 C ATOM 156 C LEU A 10 -6.525 -14.729 -6.769 1.00 14.53 C ATOM 157 O LEU A 10 -7.048 -14.519 -7.864 1.00 62.24 O ATOM 158 CB LEU A 10 -5.940 -12.727 -5.385 1.00 55.24 C ATOM 159 CG LEU A 10 -4.893 -11.843 -4.696 1.00 22.15 C ATOM 160 CD1 LEU A 10 -4.396 -10.747 -5.627 1.00 2.44 C ATOM 161 CD2 LEU A 10 -5.463 -11.244 -3.420 1.00 2.42 C ATOM 0 H LEU A 10 -5.236 -12.782 -8.068 1.00 35.14 H new ATOM 0 HA LEU A 10 -4.694 -14.438 -5.677 1.00 1.24 H new ATOM 0 HB2 LEU A 10 -6.583 -12.090 -5.992 1.00 55.24 H new ATOM 0 HB3 LEU A 10 -6.570 -13.177 -4.617 1.00 55.24 H new ATOM 0 HG LEU A 10 -4.040 -12.471 -4.437 1.00 22.15 H new ATOM 0 HD11 LEU A 10 -3.655 -10.138 -5.109 1.00 2.44 H new ATOM 0 HD12 LEU A 10 -3.942 -11.198 -6.510 1.00 2.44 H new ATOM 0 HD13 LEU A 10 -5.234 -10.119 -5.930 1.00 2.44 H new ATOM 0 HD21 LEU A 10 -4.708 -10.619 -2.943 1.00 2.42 H new ATOM 0 HD22 LEU A 10 -6.336 -10.638 -3.661 1.00 2.42 H new ATOM 0 HD23 LEU A 10 -5.754 -12.045 -2.740 1.00 2.42 H new ATOM 173 N PHE A 11 -6.895 -15.719 -5.974 1.00 74.05 N ATOM 174 CA PHE A 11 -7.985 -16.608 -6.330 1.00 32.00 C ATOM 175 C PHE A 11 -9.259 -16.135 -5.648 1.00 13.20 C ATOM 176 O PHE A 11 -9.281 -15.925 -4.435 1.00 12.24 O ATOM 177 CB PHE A 11 -7.663 -18.049 -5.924 1.00 14.33 C ATOM 178 CG PHE A 11 -8.604 -19.064 -6.513 1.00 41.21 C ATOM 179 CD1 PHE A 11 -8.364 -19.594 -7.770 1.00 2.31 C ATOM 180 CD2 PHE A 11 -9.724 -19.487 -5.812 1.00 62.41 C ATOM 181 CE1 PHE A 11 -9.222 -20.527 -8.320 1.00 71.03 C ATOM 182 CE2 PHE A 11 -10.586 -20.420 -6.357 1.00 23.32 C ATOM 183 CZ PHE A 11 -10.334 -20.941 -7.613 1.00 20.42 C ATOM 0 H PHE A 11 -6.455 -15.926 -5.077 1.00 74.05 H new ATOM 0 HA PHE A 11 -8.124 -16.589 -7.411 1.00 32.00 H new ATOM 0 HB2 PHE A 11 -6.645 -18.286 -6.234 1.00 14.33 H new ATOM 0 HB3 PHE A 11 -7.692 -18.127 -4.837 1.00 14.33 H new ATOM 0 HD1 PHE A 11 -7.496 -19.274 -8.327 1.00 2.31 H new ATOM 0 HD2 PHE A 11 -9.924 -19.083 -4.831 1.00 62.41 H new ATOM 0 HE1 PHE A 11 -9.023 -20.932 -9.301 1.00 71.03 H new ATOM 0 HE2 PHE A 11 -11.455 -20.742 -5.803 1.00 23.32 H new ATOM 0 HZ PHE A 11 -11.006 -21.671 -8.040 1.00 20.42 H new ATOM 193 N GLU A 12 -10.301 -15.946 -6.433 1.00 61.12 N ATOM 194 CA GLU A 12 -11.565 -15.446 -5.924 1.00 71.54 C ATOM 195 C GLU A 12 -12.579 -16.579 -5.854 1.00 3.34 C ATOM 196 O GLU A 12 -12.935 -17.165 -6.877 1.00 71.44 O ATOM 197 CB GLU A 12 -12.071 -14.338 -6.844 1.00 72.21 C ATOM 198 CG GLU A 12 -11.025 -13.269 -7.115 1.00 24.34 C ATOM 199 CD GLU A 12 -11.224 -12.593 -8.455 1.00 45.33 C ATOM 200 OE1 GLU A 12 -11.837 -11.504 -8.502 1.00 42.44 O ATOM 201 OE2 GLU A 12 -10.757 -13.148 -9.473 1.00 65.03 O ATOM 0 H GLU A 12 -10.297 -16.133 -7.436 1.00 61.12 H new ATOM 0 HA GLU A 12 -11.425 -15.045 -4.920 1.00 71.54 H new ATOM 0 HB2 GLU A 12 -12.389 -14.776 -7.790 1.00 72.21 H new ATOM 0 HB3 GLU A 12 -12.950 -13.874 -6.396 1.00 72.21 H new ATOM 0 HG2 GLU A 12 -11.062 -12.520 -6.324 1.00 24.34 H new ATOM 0 HG3 GLU A 12 -10.033 -13.719 -7.082 1.00 24.34 H new ATOM 208 N VAL A 13 -13.029 -16.901 -4.651 1.00 34.44 N ATOM 209 CA VAL A 13 -13.983 -17.985 -4.470 1.00 61.22 C ATOM 210 C VAL A 13 -15.143 -17.539 -3.576 1.00 34.35 C ATOM 211 O VAL A 13 -15.010 -16.596 -2.793 1.00 52.15 O ATOM 212 CB VAL A 13 -13.297 -19.246 -3.887 1.00 11.30 C ATOM 213 CG1 VAL A 13 -12.911 -19.045 -2.431 1.00 54.31 C ATOM 214 CG2 VAL A 13 -14.178 -20.476 -4.051 1.00 23.42 C ATOM 0 H VAL A 13 -12.751 -16.430 -3.790 1.00 34.44 H new ATOM 0 HA VAL A 13 -14.382 -18.246 -5.450 1.00 61.22 H new ATOM 0 HB VAL A 13 -12.380 -19.411 -4.453 1.00 11.30 H new ATOM 0 HG11 VAL A 13 -12.432 -19.949 -2.053 1.00 54.31 H new ATOM 0 HG12 VAL A 13 -12.219 -18.207 -2.350 1.00 54.31 H new ATOM 0 HG13 VAL A 13 -13.805 -18.835 -1.843 1.00 54.31 H new ATOM 0 HG21 VAL A 13 -13.671 -21.345 -3.633 1.00 23.42 H new ATOM 0 HG22 VAL A 13 -15.122 -20.320 -3.528 1.00 23.42 H new ATOM 0 HG23 VAL A 13 -14.374 -20.645 -5.110 1.00 23.42 H new ATOM 224 N GLU A 14 -16.279 -18.204 -3.718 1.00 63.04 N ATOM 225 CA GLU A 14 -17.481 -17.851 -2.978 1.00 45.14 C ATOM 226 C GLU A 14 -17.613 -18.704 -1.721 1.00 61.13 C ATOM 227 O GLU A 14 -17.225 -19.874 -1.709 1.00 12.15 O ATOM 228 CB GLU A 14 -18.703 -18.056 -3.866 1.00 11.10 C ATOM 229 CG GLU A 14 -18.595 -17.354 -5.207 1.00 62.10 C ATOM 230 CD GLU A 14 -19.578 -17.898 -6.217 1.00 40.33 C ATOM 231 OE1 GLU A 14 -20.562 -17.202 -6.544 1.00 14.43 O ATOM 232 OE2 GLU A 14 -19.368 -19.033 -6.694 1.00 63.33 O ATOM 0 H GLU A 14 -16.394 -19.000 -4.346 1.00 63.04 H new ATOM 0 HA GLU A 14 -17.412 -16.805 -2.680 1.00 45.14 H new ATOM 0 HB2 GLU A 14 -18.847 -19.123 -4.033 1.00 11.10 H new ATOM 0 HB3 GLU A 14 -19.588 -17.693 -3.344 1.00 11.10 H new ATOM 0 HG2 GLU A 14 -18.769 -16.287 -5.071 1.00 62.10 H new ATOM 0 HG3 GLU A 14 -17.582 -17.465 -5.593 1.00 62.10 H new ATOM 239 N GLY A 15 -18.156 -18.112 -0.669 1.00 42.14 N ATOM 240 CA GLY A 15 -18.366 -18.833 0.568 1.00 42.30 C ATOM 241 C GLY A 15 -19.513 -18.258 1.372 1.00 13.34 C ATOM 242 O GLY A 15 -20.304 -17.466 0.858 1.00 21.15 O ATOM 0 H GLY A 15 -18.457 -17.138 -0.650 1.00 42.14 H new ATOM 0 HA2 GLY A 15 -18.568 -19.881 0.347 1.00 42.30 H new ATOM 0 HA3 GLY A 15 -17.454 -18.803 1.164 1.00 42.30 H new ATOM 246 N ALA A 16 -19.612 -18.658 2.630 1.00 22.01 N ATOM 247 CA ALA A 16 -20.660 -18.159 3.510 1.00 13.23 C ATOM 248 C ALA A 16 -20.070 -17.737 4.846 1.00 52.55 C ATOM 249 O ALA A 16 -19.327 -18.496 5.467 1.00 73.22 O ATOM 250 CB ALA A 16 -21.738 -19.216 3.711 1.00 31.54 C ATOM 0 H ALA A 16 -18.979 -19.328 3.066 1.00 22.01 H new ATOM 0 HA ALA A 16 -21.119 -17.288 3.043 1.00 13.23 H new ATOM 0 HB1 ALA A 16 -22.512 -18.825 4.371 1.00 31.54 H new ATOM 0 HB2 ALA A 16 -22.179 -19.474 2.748 1.00 31.54 H new ATOM 0 HB3 ALA A 16 -21.296 -20.106 4.158 1.00 31.54 H new ATOM 256 N VAL A 17 -20.399 -16.528 5.280 1.00 53.53 N ATOM 257 CA VAL A 17 -19.849 -15.982 6.516 1.00 43.13 C ATOM 258 C VAL A 17 -20.465 -16.658 7.744 1.00 1.23 C ATOM 259 O VAL A 17 -21.685 -16.819 7.835 1.00 54.34 O ATOM 260 CB VAL A 17 -20.050 -14.448 6.591 1.00 43.32 C ATOM 261 CG1 VAL A 17 -21.521 -14.086 6.488 1.00 72.41 C ATOM 262 CG2 VAL A 17 -19.445 -13.878 7.866 1.00 31.52 C ATOM 0 H VAL A 17 -21.045 -15.905 4.795 1.00 53.53 H new ATOM 0 HA VAL A 17 -18.779 -16.188 6.512 1.00 43.13 H new ATOM 0 HB VAL A 17 -19.530 -14.004 5.742 1.00 43.32 H new ATOM 0 HG11 VAL A 17 -21.634 -13.003 6.543 1.00 72.41 H new ATOM 0 HG12 VAL A 17 -21.918 -14.444 5.538 1.00 72.41 H new ATOM 0 HG13 VAL A 17 -22.068 -14.550 7.308 1.00 72.41 H new ATOM 0 HG21 VAL A 17 -19.601 -12.800 7.892 1.00 31.52 H new ATOM 0 HG22 VAL A 17 -19.924 -14.335 8.732 1.00 31.52 H new ATOM 0 HG23 VAL A 17 -18.376 -14.091 7.888 1.00 31.52 H new ATOM 272 N THR A 18 -19.614 -17.067 8.674 1.00 20.31 N ATOM 273 CA THR A 18 -20.071 -17.732 9.883 1.00 5.24 C ATOM 274 C THR A 18 -20.175 -16.753 11.047 1.00 55.34 C ATOM 275 O THR A 18 -21.198 -16.695 11.731 1.00 4.24 O ATOM 276 CB THR A 18 -19.115 -18.870 10.282 1.00 13.40 C ATOM 277 OG1 THR A 18 -18.828 -19.690 9.144 1.00 64.55 O ATOM 278 CG2 THR A 18 -19.721 -19.724 11.384 1.00 31.12 C ATOM 0 H THR A 18 -18.603 -16.949 8.613 1.00 20.31 H new ATOM 0 HA THR A 18 -21.057 -18.142 9.666 1.00 5.24 H new ATOM 0 HB THR A 18 -18.192 -18.425 10.653 1.00 13.40 H new ATOM 0 HG1 THR A 18 -17.864 -19.679 8.967 1.00 64.55 H new ATOM 0 HG21 THR A 18 -19.027 -20.522 11.649 1.00 31.12 H new ATOM 0 HG22 THR A 18 -19.914 -19.105 12.260 1.00 31.12 H new ATOM 0 HG23 THR A 18 -20.657 -20.159 11.034 1.00 31.12 H new ATOM 286 N ALA A 19 -19.118 -15.974 11.255 1.00 24.43 N ATOM 287 CA ALA A 19 -19.051 -15.050 12.379 1.00 12.02 C ATOM 288 C ALA A 19 -17.866 -14.107 12.226 1.00 33.41 C ATOM 289 O ALA A 19 -17.010 -14.311 11.360 1.00 0.10 O ATOM 290 CB ALA A 19 -18.947 -15.811 13.694 1.00 11.42 C ATOM 0 H ALA A 19 -18.293 -15.966 10.656 1.00 24.43 H new ATOM 0 HA ALA A 19 -19.968 -14.461 12.389 1.00 12.02 H new ATOM 0 HB1 ALA A 19 -18.898 -15.103 14.521 1.00 11.42 H new ATOM 0 HB2 ALA A 19 -19.822 -16.450 13.815 1.00 11.42 H new ATOM 0 HB3 ALA A 19 -18.047 -16.425 13.689 1.00 11.42 H new ATOM 296 N LEU A 20 -17.824 -13.077 13.062 1.00 51.40 N ATOM 297 CA LEU A 20 -16.741 -12.102 13.025 1.00 65.01 C ATOM 298 C LEU A 20 -16.236 -11.799 14.429 1.00 0.32 C ATOM 299 O LEU A 20 -16.968 -11.940 15.409 1.00 54.25 O ATOM 300 CB LEU A 20 -17.188 -10.792 12.357 1.00 1.20 C ATOM 301 CG LEU A 20 -18.142 -9.905 13.172 1.00 50.04 C ATOM 302 CD1 LEU A 20 -18.268 -8.535 12.526 1.00 14.33 C ATOM 303 CD2 LEU A 20 -19.517 -10.542 13.290 1.00 65.41 C ATOM 0 H LEU A 20 -18.529 -12.895 13.776 1.00 51.40 H new ATOM 0 HA LEU A 20 -15.935 -12.541 12.436 1.00 65.01 H new ATOM 0 HB2 LEU A 20 -16.299 -10.209 12.118 1.00 1.20 H new ATOM 0 HB3 LEU A 20 -17.672 -11.037 11.412 1.00 1.20 H new ATOM 0 HG LEU A 20 -17.724 -9.797 14.173 1.00 50.04 H new ATOM 0 HD11 LEU A 20 -18.947 -7.917 13.114 1.00 14.33 H new ATOM 0 HD12 LEU A 20 -17.288 -8.060 12.486 1.00 14.33 H new ATOM 0 HD13 LEU A 20 -18.660 -8.644 11.515 1.00 14.33 H new ATOM 0 HD21 LEU A 20 -20.170 -9.892 13.872 1.00 65.41 H new ATOM 0 HD22 LEU A 20 -19.939 -10.684 12.295 1.00 65.41 H new ATOM 0 HD23 LEU A 20 -19.429 -11.508 13.788 1.00 65.41 H new ATOM 315 N LEU A 21 -14.985 -11.383 14.508 1.00 75.11 N ATOM 316 CA LEU A 21 -14.385 -10.952 15.760 1.00 15.42 C ATOM 317 C LEU A 21 -14.323 -9.430 15.788 1.00 33.03 C ATOM 318 O LEU A 21 -14.243 -8.794 14.735 1.00 22.31 O ATOM 319 CB LEU A 21 -12.973 -11.539 15.928 1.00 41.53 C ATOM 320 CG LEU A 21 -12.892 -13.053 16.173 1.00 50.15 C ATOM 321 CD1 LEU A 21 -13.196 -13.841 14.906 1.00 50.54 C ATOM 322 CD2 LEU A 21 -11.521 -13.424 16.712 1.00 22.15 C ATOM 0 H LEU A 21 -14.356 -11.334 13.707 1.00 75.11 H new ATOM 0 HA LEU A 21 -14.999 -11.313 16.585 1.00 15.42 H new ATOM 0 HB2 LEU A 21 -12.396 -11.306 15.033 1.00 41.53 H new ATOM 0 HB3 LEU A 21 -12.488 -11.031 16.761 1.00 41.53 H new ATOM 0 HG LEU A 21 -13.648 -13.314 16.914 1.00 50.15 H new ATOM 0 HD11 LEU A 21 -13.129 -14.908 15.117 1.00 50.54 H new ATOM 0 HD12 LEU A 21 -14.202 -13.601 14.561 1.00 50.54 H new ATOM 0 HD13 LEU A 21 -12.475 -13.578 14.132 1.00 50.54 H new ATOM 0 HD21 LEU A 21 -11.476 -14.500 16.882 1.00 22.15 H new ATOM 0 HD22 LEU A 21 -10.756 -13.138 15.990 1.00 22.15 H new ATOM 0 HD23 LEU A 21 -11.346 -12.901 17.652 1.00 22.15 H new ATOM 334 N PRO A 22 -14.354 -8.822 16.986 1.00 51.12 N ATOM 335 CA PRO A 22 -14.317 -7.357 17.143 1.00 0.24 C ATOM 336 C PRO A 22 -13.035 -6.728 16.588 1.00 14.12 C ATOM 337 O PRO A 22 -12.941 -5.509 16.443 1.00 23.24 O ATOM 338 CB PRO A 22 -14.399 -7.154 18.661 1.00 4.12 C ATOM 339 CG PRO A 22 -13.983 -8.459 19.252 1.00 4.53 C ATOM 340 CD PRO A 22 -14.444 -9.510 18.286 1.00 74.13 C ATOM 0 HA PRO A 22 -15.124 -6.877 16.589 1.00 0.24 H new ATOM 0 HB2 PRO A 22 -13.743 -6.347 18.987 1.00 4.12 H new ATOM 0 HB3 PRO A 22 -15.410 -6.887 18.969 1.00 4.12 H new ATOM 0 HG2 PRO A 22 -12.902 -8.500 19.388 1.00 4.53 H new ATOM 0 HG3 PRO A 22 -14.434 -8.605 20.234 1.00 4.53 H new ATOM 0 HD2 PRO A 22 -13.810 -10.396 18.319 1.00 74.13 H new ATOM 0 HD3 PRO A 22 -15.461 -9.838 18.500 1.00 74.13 H new ATOM 348 N ALA A 23 -12.062 -7.570 16.262 1.00 1.22 N ATOM 349 CA ALA A 23 -10.788 -7.111 15.727 1.00 11.52 C ATOM 350 C ALA A 23 -10.808 -7.087 14.198 1.00 63.14 C ATOM 351 O ALA A 23 -9.756 -7.049 13.560 1.00 53.54 O ATOM 352 CB ALA A 23 -9.663 -8.003 16.231 1.00 3.23 C ATOM 0 H ALA A 23 -12.133 -8.583 16.360 1.00 1.22 H new ATOM 0 HA ALA A 23 -10.617 -6.092 16.073 1.00 11.52 H new ATOM 0 HB1 ALA A 23 -8.713 -7.654 15.827 1.00 3.23 H new ATOM 0 HB2 ALA A 23 -9.630 -7.966 17.320 1.00 3.23 H new ATOM 0 HB3 ALA A 23 -9.840 -9.029 15.908 1.00 3.23 H new ATOM 358 N ALA A 24 -12.018 -7.112 13.627 1.00 32.30 N ATOM 359 CA ALA A 24 -12.219 -7.070 12.173 1.00 52.51 C ATOM 360 C ALA A 24 -11.769 -8.372 11.507 1.00 60.34 C ATOM 361 O ALA A 24 -11.537 -8.420 10.298 1.00 23.21 O ATOM 362 CB ALA A 24 -11.510 -5.869 11.555 1.00 2.25 C ATOM 0 H ALA A 24 -12.886 -7.162 14.160 1.00 32.30 H new ATOM 0 HA ALA A 24 -13.289 -6.960 11.994 1.00 52.51 H new ATOM 0 HB1 ALA A 24 -11.676 -5.863 10.478 1.00 2.25 H new ATOM 0 HB2 ALA A 24 -11.906 -4.950 11.988 1.00 2.25 H new ATOM 0 HB3 ALA A 24 -10.441 -5.934 11.757 1.00 2.25 H new ATOM 368 N GLU A 25 -11.665 -9.425 12.304 1.00 73.42 N ATOM 369 CA GLU A 25 -11.338 -10.749 11.795 1.00 50.44 C ATOM 370 C GLU A 25 -12.637 -11.497 11.500 1.00 4.21 C ATOM 371 O GLU A 25 -13.579 -11.439 12.284 1.00 72.25 O ATOM 372 CB GLU A 25 -10.508 -11.517 12.830 1.00 13.12 C ATOM 373 CG GLU A 25 -9.827 -12.772 12.293 1.00 54.13 C ATOM 374 CD GLU A 25 -8.539 -12.475 11.540 1.00 31.51 C ATOM 375 OE1 GLU A 25 -7.682 -11.751 12.085 1.00 75.34 O ATOM 376 OE2 GLU A 25 -8.351 -13.004 10.428 1.00 70.15 O ATOM 0 H GLU A 25 -11.804 -9.387 13.314 1.00 73.42 H new ATOM 0 HA GLU A 25 -10.751 -10.660 10.881 1.00 50.44 H new ATOM 0 HB2 GLU A 25 -9.746 -10.850 13.233 1.00 13.12 H new ATOM 0 HB3 GLU A 25 -11.156 -11.798 13.660 1.00 13.12 H new ATOM 0 HG2 GLU A 25 -9.609 -13.444 13.123 1.00 54.13 H new ATOM 0 HG3 GLU A 25 -10.515 -13.297 11.631 1.00 54.13 H new ATOM 383 N PHE A 26 -12.694 -12.180 10.376 1.00 11.42 N ATOM 384 CA PHE A 26 -13.899 -12.884 9.967 1.00 75.55 C ATOM 385 C PHE A 26 -13.612 -14.365 9.771 1.00 62.25 C ATOM 386 O PHE A 26 -12.469 -14.765 9.565 1.00 53.01 O ATOM 387 CB PHE A 26 -14.448 -12.300 8.659 1.00 33.35 C ATOM 388 CG PHE A 26 -14.893 -10.870 8.761 1.00 63.14 C ATOM 389 CD1 PHE A 26 -14.006 -9.835 8.519 1.00 74.20 C ATOM 390 CD2 PHE A 26 -16.197 -10.562 9.099 1.00 41.33 C ATOM 391 CE1 PHE A 26 -14.415 -8.520 8.611 1.00 31.23 C ATOM 392 CE2 PHE A 26 -16.611 -9.249 9.193 1.00 3.00 C ATOM 393 CZ PHE A 26 -15.718 -8.226 8.951 1.00 2.22 C ATOM 0 H PHE A 26 -11.915 -12.265 9.723 1.00 11.42 H new ATOM 0 HA PHE A 26 -14.642 -12.762 10.756 1.00 75.55 H new ATOM 0 HB2 PHE A 26 -13.679 -12.375 7.890 1.00 33.35 H new ATOM 0 HB3 PHE A 26 -15.290 -12.908 8.328 1.00 33.35 H new ATOM 0 HD1 PHE A 26 -12.983 -10.059 8.255 1.00 74.20 H new ATOM 0 HD2 PHE A 26 -16.901 -11.358 9.292 1.00 41.33 H new ATOM 0 HE1 PHE A 26 -13.714 -7.722 8.417 1.00 31.23 H new ATOM 0 HE2 PHE A 26 -17.634 -9.022 9.456 1.00 3.00 H new ATOM 0 HZ PHE A 26 -16.039 -7.198 9.028 1.00 2.22 H new ATOM 403 N ARG A 27 -14.652 -15.173 9.849 1.00 52.42 N ATOM 404 CA ARG A 27 -14.548 -16.586 9.528 1.00 54.44 C ATOM 405 C ARG A 27 -15.695 -16.992 8.623 1.00 1.44 C ATOM 406 O ARG A 27 -16.864 -16.762 8.946 1.00 35.30 O ATOM 407 CB ARG A 27 -14.554 -17.448 10.789 1.00 35.51 C ATOM 408 CG ARG A 27 -13.263 -17.382 11.587 1.00 25.34 C ATOM 409 CD ARG A 27 -13.284 -18.394 12.720 1.00 72.01 C ATOM 410 NE ARG A 27 -11.990 -18.528 13.390 1.00 30.14 N ATOM 411 CZ ARG A 27 -11.768 -19.375 14.398 1.00 3.05 C ATOM 412 NH1 ARG A 27 -12.773 -20.075 14.911 1.00 52.31 N ATOM 413 NH2 ARG A 27 -10.550 -19.504 14.910 1.00 21.42 N ATOM 0 H ARG A 27 -15.585 -14.874 10.134 1.00 52.42 H new ATOM 0 HA ARG A 27 -13.600 -16.746 9.015 1.00 54.44 H new ATOM 0 HB2 ARG A 27 -15.380 -17.135 11.427 1.00 35.51 H new ATOM 0 HB3 ARG A 27 -14.743 -18.484 10.508 1.00 35.51 H new ATOM 0 HG2 ARG A 27 -12.414 -17.578 10.932 1.00 25.34 H new ATOM 0 HG3 ARG A 27 -13.129 -16.378 11.991 1.00 25.34 H new ATOM 0 HD2 ARG A 27 -14.036 -18.098 13.451 1.00 72.01 H new ATOM 0 HD3 ARG A 27 -13.586 -19.365 12.327 1.00 72.01 H new ATOM 0 HE ARG A 27 -11.217 -17.944 13.070 1.00 30.14 H new ATOM 0 HH11 ARG A 27 -13.715 -19.966 14.535 1.00 52.31 H new ATOM 0 HH12 ARG A 27 -12.603 -20.722 15.681 1.00 52.31 H new ATOM 0 HH21 ARG A 27 -9.778 -18.954 14.533 1.00 21.42 H new ATOM 0 HH22 ARG A 27 -10.387 -20.153 15.680 1.00 21.42 H new ATOM 427 N VAL A 28 -15.358 -17.571 7.482 1.00 10.14 N ATOM 428 CA VAL A 28 -16.359 -18.013 6.525 1.00 44.00 C ATOM 429 C VAL A 28 -16.029 -19.423 6.062 1.00 73.44 C ATOM 430 O VAL A 28 -14.875 -19.838 6.114 1.00 33.31 O ATOM 431 CB VAL A 28 -16.441 -17.070 5.295 1.00 21.14 C ATOM 432 CG1 VAL A 28 -16.590 -15.623 5.733 1.00 55.21 C ATOM 433 CG2 VAL A 28 -15.224 -17.230 4.397 1.00 55.22 C ATOM 0 H VAL A 28 -14.395 -17.746 7.195 1.00 10.14 H new ATOM 0 HA VAL A 28 -17.328 -17.995 7.024 1.00 44.00 H new ATOM 0 HB VAL A 28 -17.324 -17.350 4.721 1.00 21.14 H new ATOM 0 HG11 VAL A 28 -16.645 -14.981 4.854 1.00 55.21 H new ATOM 0 HG12 VAL A 28 -17.501 -15.513 6.321 1.00 55.21 H new ATOM 0 HG13 VAL A 28 -15.730 -15.336 6.339 1.00 55.21 H new ATOM 0 HG21 VAL A 28 -15.310 -16.557 3.544 1.00 55.22 H new ATOM 0 HG22 VAL A 28 -14.322 -16.989 4.960 1.00 55.22 H new ATOM 0 HG23 VAL A 28 -15.166 -18.259 4.042 1.00 55.22 H new ATOM 443 N LYS A 29 -17.026 -20.170 5.630 1.00 50.01 N ATOM 444 CA LYS A 29 -16.768 -21.505 5.129 1.00 51.41 C ATOM 445 C LYS A 29 -16.990 -21.584 3.635 1.00 35.22 C ATOM 446 O LYS A 29 -17.911 -20.965 3.094 1.00 51.53 O ATOM 447 CB LYS A 29 -17.620 -22.574 5.827 1.00 4.14 C ATOM 448 CG LYS A 29 -19.124 -22.354 5.767 1.00 31.33 C ATOM 449 CD LYS A 29 -19.637 -21.737 7.053 1.00 4.42 C ATOM 450 CE LYS A 29 -21.136 -21.926 7.218 1.00 32.21 C ATOM 451 NZ LYS A 29 -21.583 -21.531 8.578 1.00 2.21 N1+ ATOM 0 H LYS A 29 -18.005 -19.883 5.615 1.00 50.01 H new ATOM 0 HA LYS A 29 -15.721 -21.710 5.352 1.00 51.41 H new ATOM 0 HB2 LYS A 29 -17.394 -23.542 5.381 1.00 4.14 H new ATOM 0 HB3 LYS A 29 -17.319 -22.627 6.873 1.00 4.14 H new ATOM 0 HG2 LYS A 29 -19.366 -21.704 4.926 1.00 31.33 H new ATOM 0 HG3 LYS A 29 -19.627 -23.305 5.590 1.00 31.33 H new ATOM 0 HD2 LYS A 29 -19.120 -22.185 7.901 1.00 4.42 H new ATOM 0 HD3 LYS A 29 -19.403 -20.673 7.063 1.00 4.42 H new ATOM 0 HE2 LYS A 29 -21.664 -21.332 6.472 1.00 32.21 H new ATOM 0 HE3 LYS A 29 -21.395 -22.969 7.036 1.00 32.21 H new ATOM 0 HZ1 LYS A 29 -22.610 -21.671 8.660 1.00 2.21 H new ATOM 0 HZ2 LYS A 29 -21.096 -22.116 9.287 1.00 2.21 H new ATOM 0 HZ3 LYS A 29 -21.356 -20.529 8.741 1.00 2.21 H new ATOM 465 N LEU A 30 -16.120 -22.331 2.976 1.00 31.01 N ATOM 466 CA LEU A 30 -16.327 -22.696 1.593 1.00 44.41 C ATOM 467 C LEU A 30 -17.541 -23.609 1.525 1.00 33.20 C ATOM 468 O LEU A 30 -17.853 -24.300 2.499 1.00 52.24 O ATOM 469 CB LEU A 30 -15.085 -23.406 1.037 1.00 62.50 C ATOM 470 CG LEU A 30 -15.168 -23.827 -0.431 1.00 74.14 C ATOM 471 CD1 LEU A 30 -15.308 -22.613 -1.332 1.00 52.12 C ATOM 472 CD2 LEU A 30 -13.946 -24.640 -0.820 1.00 71.45 C ATOM 0 H LEU A 30 -15.259 -22.696 3.384 1.00 31.01 H new ATOM 0 HA LEU A 30 -16.496 -21.805 0.988 1.00 44.41 H new ATOM 0 HB2 LEU A 30 -14.226 -22.746 1.160 1.00 62.50 H new ATOM 0 HB3 LEU A 30 -14.894 -24.293 1.641 1.00 62.50 H new ATOM 0 HG LEU A 30 -16.053 -24.450 -0.558 1.00 74.14 H new ATOM 0 HD11 LEU A 30 -15.365 -22.936 -2.371 1.00 52.12 H new ATOM 0 HD12 LEU A 30 -16.215 -22.069 -1.071 1.00 52.12 H new ATOM 0 HD13 LEU A 30 -14.444 -21.962 -1.202 1.00 52.12 H new ATOM 0 HD21 LEU A 30 -14.021 -24.931 -1.868 1.00 71.45 H new ATOM 0 HD22 LEU A 30 -13.048 -24.040 -0.674 1.00 71.45 H new ATOM 0 HD23 LEU A 30 -13.890 -25.533 -0.198 1.00 71.45 H new ATOM 484 N ASP A 31 -18.213 -23.624 0.387 1.00 41.33 N ATOM 485 CA ASP A 31 -19.461 -24.369 0.240 1.00 63.53 C ATOM 486 C ASP A 31 -19.235 -25.876 0.401 1.00 42.10 C ATOM 487 O ASP A 31 -20.181 -26.646 0.547 1.00 54.13 O ATOM 488 CB ASP A 31 -20.085 -24.067 -1.123 1.00 3.41 C ATOM 489 CG ASP A 31 -21.577 -24.304 -1.136 1.00 1.22 C ATOM 490 OD1 ASP A 31 -22.310 -23.483 -0.550 1.00 51.43 O ATOM 491 OD2 ASP A 31 -22.024 -25.298 -1.740 1.00 4.45 O ATOM 0 H ASP A 31 -17.918 -23.128 -0.454 1.00 41.33 H new ATOM 0 HA ASP A 31 -20.144 -24.052 1.028 1.00 63.53 H new ATOM 0 HB2 ASP A 31 -19.882 -23.030 -1.391 1.00 3.41 H new ATOM 0 HB3 ASP A 31 -19.614 -24.691 -1.882 1.00 3.41 H new ATOM 496 N ASN A 32 -17.968 -26.281 0.406 1.00 3.11 N ATOM 497 CA ASN A 32 -17.599 -27.690 0.534 1.00 3.30 C ATOM 498 C ASN A 32 -17.287 -28.059 1.987 1.00 42.12 C ATOM 499 O ASN A 32 -16.504 -28.973 2.250 1.00 14.42 O ATOM 500 CB ASN A 32 -16.399 -27.998 -0.367 1.00 13.54 C ATOM 501 CG ASN A 32 -16.736 -27.859 -1.842 1.00 51.11 C ATOM 502 OD1 ASN A 32 -17.869 -28.096 -2.261 1.00 0.03 O ATOM 503 ND2 ASN A 32 -15.758 -27.478 -2.648 1.00 44.45 N ATOM 0 H ASN A 32 -17.173 -25.648 0.322 1.00 3.11 H new ATOM 0 HA ASN A 32 -18.450 -28.294 0.218 1.00 3.30 H new ATOM 0 HB2 ASN A 32 -15.579 -27.325 -0.119 1.00 13.54 H new ATOM 0 HB3 ASN A 32 -16.050 -29.012 -0.170 1.00 13.54 H new ATOM 0 HD21 ASN A 32 -15.932 -27.373 -3.647 1.00 44.45 H new ATOM 0 HD22 ASN A 32 -14.830 -27.289 -2.270 1.00 44.45 H new ATOM 510 N GLU A 33 -17.910 -27.329 2.919 1.00 3.12 N ATOM 511 CA GLU A 33 -17.872 -27.649 4.355 1.00 34.31 C ATOM 512 C GLU A 33 -16.509 -27.371 4.992 1.00 62.53 C ATOM 513 O GLU A 33 -16.197 -27.918 6.049 1.00 22.42 O ATOM 514 CB GLU A 33 -18.235 -29.118 4.601 1.00 12.11 C ATOM 515 CG GLU A 33 -19.561 -29.553 4.005 1.00 33.00 C ATOM 516 CD GLU A 33 -19.821 -31.024 4.237 1.00 14.32 C ATOM 517 OE1 GLU A 33 -19.135 -31.858 3.610 1.00 64.13 O ATOM 518 OE2 GLU A 33 -20.706 -31.356 5.052 1.00 14.33 O ATOM 0 H GLU A 33 -18.457 -26.496 2.700 1.00 3.12 H new ATOM 0 HA GLU A 33 -18.608 -26.994 4.822 1.00 34.31 H new ATOM 0 HB2 GLU A 33 -17.445 -29.747 4.191 1.00 12.11 H new ATOM 0 HB3 GLU A 33 -18.259 -29.297 5.676 1.00 12.11 H new ATOM 0 HG2 GLU A 33 -20.368 -28.967 4.445 1.00 33.00 H new ATOM 0 HG3 GLU A 33 -19.564 -29.347 2.935 1.00 33.00 H new ATOM 525 N HIS A 34 -15.705 -26.516 4.382 1.00 44.54 N ATOM 526 CA HIS A 34 -14.401 -26.205 4.950 1.00 21.31 C ATOM 527 C HIS A 34 -14.295 -24.716 5.244 1.00 35.25 C ATOM 528 O HIS A 34 -14.390 -23.893 4.337 1.00 20.22 O ATOM 529 CB HIS A 34 -13.280 -26.648 4.007 1.00 53.24 C ATOM 530 CG HIS A 34 -11.927 -26.649 4.651 1.00 42.23 C ATOM 531 ND1 HIS A 34 -10.862 -25.914 4.181 1.00 74.45 N ATOM 532 CD2 HIS A 34 -11.467 -27.316 5.737 1.00 64.33 C ATOM 533 CE1 HIS A 34 -9.811 -26.123 4.950 1.00 62.12 C ATOM 534 NE2 HIS A 34 -10.152 -26.969 5.901 1.00 4.31 N1+ ATOM 0 H HIS A 34 -15.924 -26.033 3.511 1.00 44.54 H new ATOM 0 HA HIS A 34 -14.293 -26.753 5.886 1.00 21.31 H new ATOM 0 HB2 HIS A 34 -13.500 -27.650 3.639 1.00 53.24 H new ATOM 0 HB3 HIS A 34 -13.261 -25.987 3.141 1.00 53.24 H new ATOM 0 HD2 HIS A 34 -12.032 -27.995 6.358 1.00 64.33 H new ATOM 0 HE1 HIS A 34 -8.836 -25.676 4.822 1.00 62.12 H new ATOM 0 HE2 HIS A 34 -9.537 -27.310 6.639 1.00 4.31 H new ATOM 543 N GLU A 35 -14.091 -24.377 6.509 1.00 43.43 N ATOM 544 CA GLU A 35 -14.045 -22.981 6.921 1.00 60.41 C ATOM 545 C GLU A 35 -12.645 -22.410 6.766 1.00 24.32 C ATOM 546 O GLU A 35 -11.646 -23.101 6.977 1.00 21.44 O ATOM 547 CB GLU A 35 -14.511 -22.815 8.371 1.00 43.24 C ATOM 548 CG GLU A 35 -15.957 -23.224 8.597 1.00 60.31 C ATOM 549 CD GLU A 35 -16.500 -22.771 9.937 1.00 34.15 C ATOM 550 OE1 GLU A 35 -16.285 -23.476 10.940 1.00 22.03 O ATOM 551 OE2 GLU A 35 -17.167 -21.710 9.989 1.00 50.00 O ATOM 0 H GLU A 35 -13.955 -25.047 7.266 1.00 43.43 H new ATOM 0 HA GLU A 35 -14.724 -22.431 6.270 1.00 60.41 H new ATOM 0 HB2 GLU A 35 -13.868 -23.410 9.020 1.00 43.24 H new ATOM 0 HB3 GLU A 35 -14.387 -21.773 8.667 1.00 43.24 H new ATOM 0 HG2 GLU A 35 -16.575 -22.807 7.802 1.00 60.31 H new ATOM 0 HG3 GLU A 35 -16.037 -24.309 8.527 1.00 60.31 H new ATOM 558 N ILE A 36 -12.583 -21.149 6.387 1.00 34.24 N ATOM 559 CA ILE A 36 -11.327 -20.435 6.266 1.00 63.32 C ATOM 560 C ILE A 36 -11.419 -19.105 7.001 1.00 11.42 C ATOM 561 O ILE A 36 -12.498 -18.521 7.117 1.00 63.44 O ATOM 562 CB ILE A 36 -10.939 -20.181 4.791 1.00 15.31 C ATOM 563 CG1 ILE A 36 -12.080 -19.473 4.049 1.00 45.32 C ATOM 564 CG2 ILE A 36 -10.576 -21.491 4.101 1.00 24.32 C ATOM 565 CD1 ILE A 36 -11.743 -19.103 2.620 1.00 33.54 C ATOM 0 H ILE A 36 -13.403 -20.589 6.154 1.00 34.24 H new ATOM 0 HA ILE A 36 -10.552 -21.060 6.710 1.00 63.32 H new ATOM 0 HB ILE A 36 -10.064 -19.531 4.771 1.00 15.31 H new ATOM 0 HG12 ILE A 36 -12.958 -20.119 4.050 1.00 45.32 H new ATOM 0 HG13 ILE A 36 -12.350 -18.569 4.595 1.00 45.32 H new ATOM 0 HG21 ILE A 36 -10.306 -21.293 3.064 1.00 24.32 H new ATOM 0 HG22 ILE A 36 -9.732 -21.951 4.615 1.00 24.32 H new ATOM 0 HG23 ILE A 36 -11.431 -22.167 4.131 1.00 24.32 H new ATOM 0 HD11 ILE A 36 -12.598 -18.607 2.161 1.00 33.54 H new ATOM 0 HD12 ILE A 36 -10.885 -18.430 2.611 1.00 33.54 H new ATOM 0 HD13 ILE A 36 -11.503 -20.005 2.058 1.00 33.54 H new ATOM 577 N ILE A 37 -10.294 -18.632 7.505 1.00 53.52 N ATOM 578 CA ILE A 37 -10.267 -17.381 8.240 1.00 65.23 C ATOM 579 C ILE A 37 -10.013 -16.233 7.266 1.00 54.33 C ATOM 580 O ILE A 37 -9.235 -16.371 6.323 1.00 34.02 O ATOM 581 CB ILE A 37 -9.198 -17.378 9.369 1.00 4.22 C ATOM 582 CG1 ILE A 37 -9.417 -18.533 10.358 1.00 23.30 C ATOM 583 CG2 ILE A 37 -9.227 -16.058 10.119 1.00 63.34 C ATOM 584 CD1 ILE A 37 -8.943 -19.880 9.862 1.00 50.52 C ATOM 0 H ILE A 37 -9.389 -19.094 7.419 1.00 53.52 H new ATOM 0 HA ILE A 37 -11.235 -17.256 8.725 1.00 65.23 H new ATOM 0 HB ILE A 37 -8.224 -17.510 8.897 1.00 4.22 H new ATOM 0 HG12 ILE A 37 -8.900 -18.300 11.289 1.00 23.30 H new ATOM 0 HG13 ILE A 37 -10.480 -18.599 10.591 1.00 23.30 H new ATOM 0 HG21 ILE A 37 -8.473 -16.070 10.906 1.00 63.34 H new ATOM 0 HG22 ILE A 37 -9.016 -15.242 9.428 1.00 63.34 H new ATOM 0 HG23 ILE A 37 -10.212 -15.913 10.562 1.00 63.34 H new ATOM 0 HD11 ILE A 37 -9.136 -20.636 10.623 1.00 50.52 H new ATOM 0 HD12 ILE A 37 -9.477 -20.140 8.948 1.00 50.52 H new ATOM 0 HD13 ILE A 37 -7.873 -19.837 9.657 1.00 50.52 H new ATOM 596 N CYS A 38 -10.694 -15.119 7.464 1.00 23.35 N ATOM 597 CA CYS A 38 -10.570 -13.990 6.560 1.00 34.22 C ATOM 598 C CYS A 38 -10.635 -12.681 7.333 1.00 44.40 C ATOM 599 O CYS A 38 -10.962 -12.671 8.508 1.00 63.14 O ATOM 600 CB CYS A 38 -11.680 -14.037 5.503 1.00 62.31 C ATOM 601 SG CYS A 38 -11.726 -15.574 4.553 1.00 71.34 S ATOM 0 H CYS A 38 -11.338 -14.972 8.241 1.00 23.35 H new ATOM 0 HA CYS A 38 -9.604 -14.049 6.059 1.00 34.22 H new ATOM 0 HB2 CYS A 38 -12.642 -13.897 5.995 1.00 62.31 H new ATOM 0 HB3 CYS A 38 -11.549 -13.201 4.816 1.00 62.31 H new ATOM 0 HG CYS A 38 -10.673 -16.285 4.827 1.00 71.34 H new ATOM 607 N HIS A 39 -10.283 -11.586 6.685 1.00 2.32 N ATOM 608 CA HIS A 39 -10.434 -10.265 7.284 1.00 25.33 C ATOM 609 C HIS A 39 -10.507 -9.209 6.195 1.00 60.42 C ATOM 610 O HIS A 39 -10.266 -9.500 5.023 1.00 70.14 O ATOM 611 CB HIS A 39 -9.294 -9.948 8.270 1.00 31.42 C ATOM 612 CG HIS A 39 -7.917 -10.009 7.678 1.00 22.44 C ATOM 613 ND1 HIS A 39 -7.330 -8.954 7.006 1.00 25.22 N ATOM 614 CD2 HIS A 39 -7.005 -11.010 7.667 1.00 52.13 C ATOM 615 CE1 HIS A 39 -6.120 -9.308 6.611 1.00 50.34 C ATOM 616 NE2 HIS A 39 -5.899 -10.547 6.998 1.00 20.45 N1+ ATOM 0 H HIS A 39 -9.890 -11.581 5.744 1.00 2.32 H new ATOM 0 HA HIS A 39 -11.363 -10.260 7.854 1.00 25.33 H new ATOM 0 HB2 HIS A 39 -9.454 -8.951 8.681 1.00 31.42 H new ATOM 0 HB3 HIS A 39 -9.348 -10.649 9.103 1.00 31.42 H new ATOM 0 HD1 HIS A 39 -7.763 -8.045 6.841 1.00 25.22 H new ATOM 0 HD2 HIS A 39 -7.125 -11.991 8.103 1.00 52.13 H new ATOM 0 HE1 HIS A 39 -5.428 -8.686 6.063 1.00 50.34 H new ATOM 625 N VAL A 40 -10.844 -7.989 6.578 1.00 55.03 N ATOM 626 CA VAL A 40 -10.893 -6.890 5.628 1.00 62.11 C ATOM 627 C VAL A 40 -9.482 -6.483 5.216 1.00 25.25 C ATOM 628 O VAL A 40 -8.537 -6.594 6.003 1.00 54.54 O ATOM 629 CB VAL A 40 -11.644 -5.668 6.201 1.00 35.23 C ATOM 630 CG1 VAL A 40 -13.114 -5.999 6.406 1.00 2.21 C ATOM 631 CG2 VAL A 40 -11.012 -5.200 7.506 1.00 4.51 C ATOM 0 H VAL A 40 -11.087 -7.735 7.536 1.00 55.03 H new ATOM 0 HA VAL A 40 -11.441 -7.240 4.753 1.00 62.11 H new ATOM 0 HB VAL A 40 -11.568 -4.853 5.481 1.00 35.23 H new ATOM 0 HG11 VAL A 40 -13.630 -5.128 6.810 1.00 2.21 H new ATOM 0 HG12 VAL A 40 -13.561 -6.275 5.451 1.00 2.21 H new ATOM 0 HG13 VAL A 40 -13.206 -6.831 7.104 1.00 2.21 H new ATOM 0 HG21 VAL A 40 -11.560 -4.339 7.887 1.00 4.51 H new ATOM 0 HG22 VAL A 40 -11.049 -6.007 8.238 1.00 4.51 H new ATOM 0 HG23 VAL A 40 -9.974 -4.919 7.327 1.00 4.51 H new ATOM 641 N SER A 41 -9.336 -6.058 3.975 1.00 30.03 N ATOM 642 CA SER A 41 -8.051 -5.609 3.473 1.00 53.12 C ATOM 643 C SER A 41 -8.154 -4.163 2.977 1.00 33.01 C ATOM 644 O SER A 41 -9.128 -3.472 3.282 1.00 61.01 O ATOM 645 CB SER A 41 -7.581 -6.547 2.353 1.00 21.13 C ATOM 646 OG SER A 41 -6.240 -6.282 1.970 1.00 52.33 O ATOM 0 H SER A 41 -10.094 -6.014 3.294 1.00 30.03 H new ATOM 0 HA SER A 41 -7.316 -5.635 4.277 1.00 53.12 H new ATOM 0 HB2 SER A 41 -7.666 -7.581 2.686 1.00 21.13 H new ATOM 0 HB3 SER A 41 -8.235 -6.436 1.488 1.00 21.13 H new ATOM 0 HG SER A 41 -5.975 -6.900 1.257 1.00 52.33 H new ATOM 652 N GLY A 42 -7.144 -3.742 2.213 1.00 24.45 N ATOM 653 CA GLY A 42 -7.031 -2.380 1.697 1.00 41.55 C ATOM 654 C GLY A 42 -8.330 -1.791 1.170 1.00 60.13 C ATOM 655 O GLY A 42 -9.065 -1.128 1.908 1.00 54.34 O ATOM 0 H GLY A 42 -6.372 -4.347 1.933 1.00 24.45 H new ATOM 0 HA2 GLY A 42 -6.651 -1.736 2.490 1.00 41.55 H new ATOM 0 HA3 GLY A 42 -6.292 -2.369 0.896 1.00 41.55 H new ATOM 659 N LYS A 43 -8.562 -1.975 -0.130 1.00 31.24 N ATOM 660 CA LYS A 43 -9.727 -1.411 -0.818 1.00 75.13 C ATOM 661 C LYS A 43 -11.016 -1.588 -0.014 1.00 30.03 C ATOM 662 O LYS A 43 -11.795 -0.650 0.118 1.00 63.35 O ATOM 663 CB LYS A 43 -9.886 -2.059 -2.197 1.00 62.11 C ATOM 664 CG LYS A 43 -10.996 -1.445 -3.036 1.00 74.34 C ATOM 665 CD LYS A 43 -11.160 -2.163 -4.369 1.00 54.33 C ATOM 666 CE LYS A 43 -11.599 -3.609 -4.179 1.00 53.32 C ATOM 667 NZ LYS A 43 -11.822 -4.297 -5.476 1.00 63.13 N1+ ATOM 0 H LYS A 43 -7.949 -2.519 -0.737 1.00 31.24 H new ATOM 0 HA LYS A 43 -9.551 -0.341 -0.928 1.00 75.13 H new ATOM 0 HB2 LYS A 43 -8.944 -1.975 -2.739 1.00 62.11 H new ATOM 0 HB3 LYS A 43 -10.086 -3.123 -2.068 1.00 62.11 H new ATOM 0 HG2 LYS A 43 -11.935 -1.486 -2.483 1.00 74.34 H new ATOM 0 HG3 LYS A 43 -10.777 -0.392 -3.215 1.00 74.34 H new ATOM 0 HD2 LYS A 43 -11.895 -1.637 -4.978 1.00 54.33 H new ATOM 0 HD3 LYS A 43 -10.217 -2.138 -4.915 1.00 54.33 H new ATOM 0 HE2 LYS A 43 -10.841 -4.146 -3.609 1.00 53.32 H new ATOM 0 HE3 LYS A 43 -12.517 -3.635 -3.592 1.00 53.32 H new ATOM 0 HZ1 LYS A 43 -12.119 -5.278 -5.302 1.00 63.13 H new ATOM 0 HZ2 LYS A 43 -12.563 -3.800 -6.010 1.00 63.13 H new ATOM 0 HZ3 LYS A 43 -10.939 -4.295 -6.026 1.00 63.13 H new ATOM 681 N VAL A 44 -11.223 -2.782 0.534 1.00 32.24 N ATOM 682 CA VAL A 44 -12.449 -3.093 1.267 1.00 64.42 C ATOM 683 C VAL A 44 -12.694 -2.098 2.404 1.00 42.13 C ATOM 684 O VAL A 44 -13.809 -1.601 2.576 1.00 30.21 O ATOM 685 CB VAL A 44 -12.410 -4.525 1.853 1.00 53.12 C ATOM 686 CG1 VAL A 44 -13.704 -4.844 2.594 1.00 0.44 C ATOM 687 CG2 VAL A 44 -12.160 -5.549 0.756 1.00 44.23 C ATOM 0 H VAL A 44 -10.557 -3.553 0.485 1.00 32.24 H new ATOM 0 HA VAL A 44 -13.265 -3.021 0.548 1.00 64.42 H new ATOM 0 HB VAL A 44 -11.587 -4.575 2.565 1.00 53.12 H new ATOM 0 HG11 VAL A 44 -13.653 -5.856 2.997 1.00 0.44 H new ATOM 0 HG12 VAL A 44 -13.840 -4.135 3.410 1.00 0.44 H new ATOM 0 HG13 VAL A 44 -14.545 -4.770 1.905 1.00 0.44 H new ATOM 0 HG21 VAL A 44 -12.136 -6.549 1.190 1.00 44.23 H new ATOM 0 HG22 VAL A 44 -12.959 -5.493 0.017 1.00 44.23 H new ATOM 0 HG23 VAL A 44 -11.205 -5.340 0.274 1.00 44.23 H new ATOM 697 N ARG A 45 -11.642 -1.785 3.153 1.00 10.13 N ATOM 698 CA ARG A 45 -11.769 -0.932 4.328 1.00 24.32 C ATOM 699 C ARG A 45 -12.187 0.484 3.932 1.00 60.23 C ATOM 700 O ARG A 45 -13.141 1.033 4.482 1.00 61.52 O ATOM 701 CB ARG A 45 -10.446 -0.904 5.113 1.00 23.53 C ATOM 702 CG ARG A 45 -10.593 -0.500 6.582 1.00 20.41 C ATOM 703 CD ARG A 45 -10.783 1.000 6.772 1.00 61.23 C ATOM 704 NE ARG A 45 -9.554 1.754 6.517 1.00 63.32 N ATOM 705 CZ ARG A 45 -9.220 2.874 7.165 1.00 51.01 C ATOM 706 NH1 ARG A 45 -10.028 3.380 8.090 1.00 40.33 N ATOM 707 NH2 ARG A 45 -8.074 3.481 6.888 1.00 31.41 N ATOM 0 H ARG A 45 -10.693 -2.109 2.967 1.00 10.13 H new ATOM 0 HA ARG A 45 -12.547 -1.347 4.969 1.00 24.32 H new ATOM 0 HB2 ARG A 45 -9.987 -1.892 5.064 1.00 23.53 H new ATOM 0 HB3 ARG A 45 -9.762 -0.210 4.624 1.00 23.53 H new ATOM 0 HG2 ARG A 45 -11.444 -1.026 7.014 1.00 20.41 H new ATOM 0 HG3 ARG A 45 -9.708 -0.821 7.131 1.00 20.41 H new ATOM 0 HD2 ARG A 45 -11.568 1.352 6.102 1.00 61.23 H new ATOM 0 HD3 ARG A 45 -11.121 1.195 7.790 1.00 61.23 H new ATOM 0 HE ARG A 45 -8.915 1.404 5.803 1.00 63.32 H new ATOM 0 HH11 ARG A 45 -10.908 2.913 8.309 1.00 40.33 H new ATOM 0 HH12 ARG A 45 -9.768 4.235 8.582 1.00 40.33 H new ATOM 0 HH21 ARG A 45 -7.449 3.093 6.181 1.00 31.41 H new ATOM 0 HH22 ARG A 45 -7.817 4.336 7.382 1.00 31.41 H new ATOM 721 N ARG A 46 -11.488 1.066 2.964 1.00 31.21 N ATOM 722 CA ARG A 46 -11.731 2.459 2.605 1.00 74.25 C ATOM 723 C ARG A 46 -12.844 2.587 1.565 1.00 25.22 C ATOM 724 O ARG A 46 -13.205 3.692 1.164 1.00 14.41 O ATOM 725 CB ARG A 46 -10.444 3.139 2.119 1.00 23.10 C ATOM 726 CG ARG A 46 -9.931 2.659 0.772 1.00 33.40 C ATOM 727 CD ARG A 46 -8.629 3.358 0.411 1.00 74.10 C ATOM 728 NE ARG A 46 -8.238 3.132 -0.979 1.00 71.23 N ATOM 729 CZ ARG A 46 -7.091 3.561 -1.506 1.00 42.31 C ATOM 730 NH1 ARG A 46 -6.192 4.171 -0.739 1.00 53.02 N ATOM 731 NH2 ARG A 46 -6.837 3.376 -2.796 1.00 43.41 N ATOM 0 H ARG A 46 -10.759 0.604 2.421 1.00 31.21 H new ATOM 0 HA ARG A 46 -12.064 2.973 3.507 1.00 74.25 H new ATOM 0 HB2 ARG A 46 -10.618 4.213 2.062 1.00 23.10 H new ATOM 0 HB3 ARG A 46 -9.664 2.982 2.864 1.00 23.10 H new ATOM 0 HG2 ARG A 46 -9.775 1.581 0.800 1.00 33.40 H new ATOM 0 HG3 ARG A 46 -10.679 2.853 0.003 1.00 33.40 H new ATOM 0 HD2 ARG A 46 -8.735 4.429 0.586 1.00 74.10 H new ATOM 0 HD3 ARG A 46 -7.836 3.005 1.070 1.00 74.10 H new ATOM 0 HE ARG A 46 -8.880 2.616 -1.581 1.00 71.23 H new ATOM 0 HH11 ARG A 46 -6.380 4.311 0.254 1.00 53.02 H new ATOM 0 HH12 ARG A 46 -5.315 4.499 -1.143 1.00 53.02 H new ATOM 0 HH21 ARG A 46 -7.521 2.904 -3.388 1.00 43.41 H new ATOM 0 HH22 ARG A 46 -5.958 3.706 -3.195 1.00 43.41 H new ATOM 745 N SER A 47 -13.384 1.462 1.125 1.00 61.43 N ATOM 746 CA SER A 47 -14.542 1.477 0.245 1.00 11.42 C ATOM 747 C SER A 47 -15.814 1.321 1.067 1.00 51.44 C ATOM 748 O SER A 47 -16.919 1.542 0.566 1.00 10.43 O ATOM 749 CB SER A 47 -14.445 0.368 -0.805 1.00 2.42 C ATOM 750 OG SER A 47 -15.471 0.488 -1.778 1.00 53.42 O ATOM 0 H SER A 47 -13.041 0.531 1.361 1.00 61.43 H new ATOM 0 HA SER A 47 -14.569 2.433 -0.279 1.00 11.42 H new ATOM 0 HB2 SER A 47 -13.471 0.411 -1.293 1.00 2.42 H new ATOM 0 HB3 SER A 47 -14.515 -0.604 -0.318 1.00 2.42 H new ATOM 0 HG SER A 47 -16.299 0.786 -1.346 1.00 53.42 H new ATOM 756 N LYS A 48 -15.633 0.942 2.332 1.00 43.11 N ATOM 757 CA LYS A 48 -16.730 0.787 3.283 1.00 42.20 C ATOM 758 C LYS A 48 -17.765 -0.216 2.788 1.00 43.20 C ATOM 759 O LYS A 48 -18.824 0.159 2.283 1.00 3.43 O ATOM 760 CB LYS A 48 -17.393 2.135 3.578 1.00 65.23 C ATOM 761 CG LYS A 48 -16.466 3.136 4.246 1.00 42.20 C ATOM 762 CD LYS A 48 -17.167 4.460 4.490 1.00 3.11 C ATOM 763 CE LYS A 48 -16.268 5.446 5.215 1.00 23.34 C ATOM 764 NZ LYS A 48 -16.949 6.748 5.439 1.00 13.20 N1+ ATOM 0 H LYS A 48 -14.716 0.733 2.726 1.00 43.11 H new ATOM 0 HA LYS A 48 -16.304 0.399 4.208 1.00 42.20 H new ATOM 0 HB2 LYS A 48 -17.762 2.561 2.645 1.00 65.23 H new ATOM 0 HB3 LYS A 48 -18.260 1.972 4.218 1.00 65.23 H new ATOM 0 HG2 LYS A 48 -16.111 2.730 5.193 1.00 42.20 H new ATOM 0 HG3 LYS A 48 -15.589 3.297 3.619 1.00 42.20 H new ATOM 0 HD2 LYS A 48 -17.481 4.886 3.537 1.00 3.11 H new ATOM 0 HD3 LYS A 48 -18.070 4.291 5.077 1.00 3.11 H new ATOM 0 HE2 LYS A 48 -15.964 5.025 6.173 1.00 23.34 H new ATOM 0 HE3 LYS A 48 -15.360 5.606 4.634 1.00 23.34 H new ATOM 0 HZ1 LYS A 48 -16.305 7.396 5.936 1.00 13.20 H new ATOM 0 HZ2 LYS A 48 -17.217 7.162 4.523 1.00 13.20 H new ATOM 0 HZ3 LYS A 48 -17.802 6.599 6.015 1.00 13.20 H new ATOM 778 N ILE A 49 -17.443 -1.492 2.914 1.00 41.25 N ATOM 779 CA ILE A 49 -18.374 -2.547 2.553 1.00 43.10 C ATOM 780 C ILE A 49 -18.913 -3.209 3.814 1.00 5.23 C ATOM 781 O ILE A 49 -18.153 -3.760 4.611 1.00 52.32 O ATOM 782 CB ILE A 49 -17.716 -3.615 1.655 1.00 63.41 C ATOM 783 CG1 ILE A 49 -17.065 -2.963 0.427 1.00 12.14 C ATOM 784 CG2 ILE A 49 -18.750 -4.652 1.232 1.00 31.41 C ATOM 785 CD1 ILE A 49 -18.042 -2.239 -0.474 1.00 54.11 C ATOM 0 H ILE A 49 -16.544 -1.822 3.264 1.00 41.25 H new ATOM 0 HA ILE A 49 -19.187 -2.090 1.989 1.00 43.10 H new ATOM 0 HB ILE A 49 -16.934 -4.117 2.224 1.00 63.41 H new ATOM 0 HG12 ILE A 49 -16.305 -2.258 0.763 1.00 12.14 H new ATOM 0 HG13 ILE A 49 -16.553 -3.732 -0.152 1.00 12.14 H new ATOM 0 HG21 ILE A 49 -18.276 -5.401 0.598 1.00 31.41 H new ATOM 0 HG22 ILE A 49 -19.164 -5.135 2.117 1.00 31.41 H new ATOM 0 HG23 ILE A 49 -19.551 -4.162 0.678 1.00 31.41 H new ATOM 0 HD11 ILE A 49 -17.506 -1.806 -1.318 1.00 54.11 H new ATOM 0 HD12 ILE A 49 -18.789 -2.943 -0.841 1.00 54.11 H new ATOM 0 HD13 ILE A 49 -18.536 -1.446 0.088 1.00 54.11 H new ATOM 797 N ARG A 50 -20.221 -3.125 4.008 1.00 44.13 N ATOM 798 CA ARG A 50 -20.848 -3.685 5.192 1.00 44.23 C ATOM 799 C ARG A 50 -21.022 -5.194 5.057 1.00 21.12 C ATOM 800 O ARG A 50 -21.875 -5.666 4.302 1.00 63.34 O ATOM 801 CB ARG A 50 -22.208 -3.035 5.429 1.00 14.10 C ATOM 802 CG ARG A 50 -22.824 -3.407 6.764 1.00 73.12 C ATOM 803 CD ARG A 50 -24.244 -2.888 6.899 1.00 74.34 C ATOM 804 NE ARG A 50 -24.742 -3.057 8.263 1.00 1.32 N ATOM 805 CZ ARG A 50 -26.030 -3.125 8.594 1.00 2.44 C ATOM 806 NH1 ARG A 50 -26.972 -3.063 7.661 1.00 75.04 N ATOM 807 NH2 ARG A 50 -26.376 -3.271 9.862 1.00 53.14 N ATOM 0 H ARG A 50 -20.867 -2.674 3.360 1.00 44.13 H new ATOM 0 HA ARG A 50 -20.197 -3.483 6.042 1.00 44.23 H new ATOM 0 HB2 ARG A 50 -22.100 -1.952 5.375 1.00 14.10 H new ATOM 0 HB3 ARG A 50 -22.888 -3.327 4.629 1.00 14.10 H new ATOM 0 HG2 ARG A 50 -22.822 -4.491 6.875 1.00 73.12 H new ATOM 0 HG3 ARG A 50 -22.212 -3.003 7.571 1.00 73.12 H new ATOM 0 HD2 ARG A 50 -24.276 -1.833 6.626 1.00 74.34 H new ATOM 0 HD3 ARG A 50 -24.895 -3.417 6.203 1.00 74.34 H new ATOM 0 HE ARG A 50 -24.055 -3.128 9.014 1.00 1.32 H new ATOM 0 HH11 ARG A 50 -26.712 -2.962 6.680 1.00 75.04 H new ATOM 0 HH12 ARG A 50 -27.956 -3.116 7.925 1.00 75.04 H new ATOM 0 HH21 ARG A 50 -25.657 -3.331 10.583 1.00 53.14 H new ATOM 0 HH22 ARG A 50 -27.362 -3.323 10.119 1.00 53.14 H new ATOM 821 N ILE A 51 -20.201 -5.944 5.777 1.00 63.13 N ATOM 822 CA ILE A 51 -20.310 -7.396 5.802 1.00 74.02 C ATOM 823 C ILE A 51 -21.311 -7.819 6.876 1.00 11.42 C ATOM 824 O ILE A 51 -21.242 -7.351 8.015 1.00 34.03 O ATOM 825 CB ILE A 51 -18.938 -8.051 6.079 1.00 12.54 C ATOM 826 CG1 ILE A 51 -17.878 -7.464 5.144 1.00 33.34 C ATOM 827 CG2 ILE A 51 -19.024 -9.561 5.902 1.00 30.03 C ATOM 828 CD1 ILE A 51 -16.483 -7.997 5.386 1.00 4.40 C ATOM 0 H ILE A 51 -19.448 -5.569 6.354 1.00 63.13 H new ATOM 0 HA ILE A 51 -20.657 -7.731 4.825 1.00 74.02 H new ATOM 0 HB ILE A 51 -18.652 -7.842 7.110 1.00 12.54 H new ATOM 0 HG12 ILE A 51 -18.162 -7.673 4.113 1.00 33.34 H new ATOM 0 HG13 ILE A 51 -17.867 -6.380 5.259 1.00 33.34 H new ATOM 0 HG21 ILE A 51 -18.049 -10.007 6.101 1.00 30.03 H new ATOM 0 HG22 ILE A 51 -19.758 -9.968 6.598 1.00 30.03 H new ATOM 0 HG23 ILE A 51 -19.327 -9.791 4.880 1.00 30.03 H new ATOM 0 HD11 ILE A 51 -15.790 -7.533 4.684 1.00 4.40 H new ATOM 0 HD12 ILE A 51 -16.177 -7.765 6.406 1.00 4.40 H new ATOM 0 HD13 ILE A 51 -16.476 -9.077 5.242 1.00 4.40 H new ATOM 840 N ILE A 52 -22.253 -8.683 6.514 1.00 13.14 N ATOM 841 CA ILE A 52 -23.292 -9.115 7.443 1.00 0.01 C ATOM 842 C ILE A 52 -23.296 -10.634 7.582 1.00 61.21 C ATOM 843 O ILE A 52 -22.930 -11.349 6.650 1.00 13.34 O ATOM 844 CB ILE A 52 -24.711 -8.643 7.015 1.00 1.45 C ATOM 845 CG1 ILE A 52 -25.180 -9.334 5.723 1.00 74.13 C ATOM 846 CG2 ILE A 52 -24.744 -7.130 6.849 1.00 10.14 C ATOM 847 CD1 ILE A 52 -24.480 -8.867 4.460 1.00 55.43 C ATOM 0 H ILE A 52 -22.319 -9.098 5.585 1.00 13.14 H new ATOM 0 HA ILE A 52 -23.055 -8.652 8.401 1.00 0.01 H new ATOM 0 HB ILE A 52 -25.401 -8.927 7.809 1.00 1.45 H new ATOM 0 HG12 ILE A 52 -25.031 -10.409 5.828 1.00 74.13 H new ATOM 0 HG13 ILE A 52 -26.252 -9.171 5.609 1.00 74.13 H new ATOM 0 HG21 ILE A 52 -25.745 -6.819 6.549 1.00 10.14 H new ATOM 0 HG22 ILE A 52 -24.484 -6.654 7.795 1.00 10.14 H new ATOM 0 HG23 ILE A 52 -24.027 -6.832 6.084 1.00 10.14 H new ATOM 0 HD11 ILE A 52 -24.877 -9.410 3.602 1.00 55.43 H new ATOM 0 HD12 ILE A 52 -24.650 -7.799 4.324 1.00 55.43 H new ATOM 0 HD13 ILE A 52 -23.410 -9.056 4.546 1.00 55.43 H new ATOM 859 N ILE A 53 -23.691 -11.115 8.752 1.00 41.43 N ATOM 860 CA ILE A 53 -23.785 -12.548 9.007 1.00 10.30 C ATOM 861 C ILE A 53 -25.058 -13.119 8.383 1.00 24.04 C ATOM 862 O ILE A 53 -26.111 -12.481 8.417 1.00 2.02 O ATOM 863 CB ILE A 53 -23.779 -12.849 10.524 1.00 13.30 C ATOM 864 CG1 ILE A 53 -22.545 -12.227 11.185 1.00 22.32 C ATOM 865 CG2 ILE A 53 -23.818 -14.353 10.778 1.00 63.15 C ATOM 866 CD1 ILE A 53 -22.489 -12.432 12.685 1.00 61.41 C ATOM 0 H ILE A 53 -23.954 -10.530 9.546 1.00 41.43 H new ATOM 0 HA ILE A 53 -22.913 -13.020 8.554 1.00 10.30 H new ATOM 0 HB ILE A 53 -24.672 -12.406 10.965 1.00 13.30 H new ATOM 0 HG12 ILE A 53 -21.649 -12.654 10.735 1.00 22.32 H new ATOM 0 HG13 ILE A 53 -22.530 -11.158 10.972 1.00 22.32 H new ATOM 0 HG21 ILE A 53 -23.813 -14.541 11.852 1.00 63.15 H new ATOM 0 HG22 ILE A 53 -24.724 -14.773 10.340 1.00 63.15 H new ATOM 0 HG23 ILE A 53 -22.945 -14.821 10.324 1.00 63.15 H new ATOM 0 HD11 ILE A 53 -21.588 -11.965 13.083 1.00 61.41 H new ATOM 0 HD12 ILE A 53 -23.367 -11.980 13.147 1.00 61.41 H new ATOM 0 HD13 ILE A 53 -22.472 -13.499 12.906 1.00 61.41 H new ATOM 878 N GLY A 54 -24.957 -14.315 7.812 1.00 22.32 N ATOM 879 CA GLY A 54 -26.122 -14.961 7.236 1.00 33.32 C ATOM 880 C GLY A 54 -26.290 -14.632 5.770 1.00 33.20 C ATOM 881 O GLY A 54 -27.401 -14.660 5.239 1.00 64.34 O ATOM 0 H GLY A 54 -24.090 -14.848 7.738 1.00 22.32 H new ATOM 0 HA2 GLY A 54 -26.034 -16.041 7.357 1.00 33.32 H new ATOM 0 HA3 GLY A 54 -27.014 -14.651 7.781 1.00 33.32 H new ATOM 885 N ASP A 55 -25.184 -14.320 5.114 1.00 15.41 N ATOM 886 CA ASP A 55 -25.203 -13.985 3.699 1.00 3.10 C ATOM 887 C ASP A 55 -23.999 -14.615 3.007 1.00 52.52 C ATOM 888 O ASP A 55 -23.053 -15.053 3.669 1.00 61.12 O ATOM 889 CB ASP A 55 -25.199 -12.455 3.512 1.00 72.32 C ATOM 890 CG ASP A 55 -25.389 -12.023 2.066 1.00 42.31 C ATOM 891 OD1 ASP A 55 -25.972 -12.803 1.280 1.00 3.11 O ATOM 892 OD2 ASP A 55 -24.958 -10.902 1.707 1.00 72.25 O ATOM 0 H ASP A 55 -24.258 -14.292 5.541 1.00 15.41 H new ATOM 0 HA ASP A 55 -26.114 -14.380 3.249 1.00 3.10 H new ATOM 0 HB2 ASP A 55 -25.992 -12.020 4.121 1.00 72.32 H new ATOM 0 HB3 ASP A 55 -24.256 -12.054 3.883 1.00 72.32 H new ATOM 897 N ARG A 56 -24.044 -14.674 1.686 1.00 31.23 N ATOM 898 CA ARG A 56 -22.932 -15.189 0.907 1.00 62.32 C ATOM 899 C ARG A 56 -21.825 -14.149 0.854 1.00 73.41 C ATOM 900 O ARG A 56 -22.087 -12.949 0.935 1.00 1.42 O ATOM 901 CB ARG A 56 -23.375 -15.542 -0.514 1.00 52.54 C ATOM 902 CG ARG A 56 -24.199 -16.815 -0.616 1.00 34.22 C ATOM 903 CD ARG A 56 -23.378 -18.040 -0.242 1.00 54.55 C ATOM 904 NE ARG A 56 -24.052 -19.283 -0.607 1.00 35.30 N ATOM 905 CZ ARG A 56 -23.497 -20.491 -0.517 1.00 54.42 C ATOM 906 NH1 ARG A 56 -22.257 -20.634 -0.063 1.00 11.20 N ATOM 907 NH2 ARG A 56 -24.178 -21.560 -0.900 1.00 20.20 N ATOM 0 H ARG A 56 -24.843 -14.370 1.130 1.00 31.23 H new ATOM 0 HA ARG A 56 -22.565 -16.096 1.387 1.00 62.32 H new ATOM 0 HB2 ARG A 56 -23.957 -14.713 -0.917 1.00 52.54 H new ATOM 0 HB3 ARG A 56 -22.490 -15.645 -1.142 1.00 52.54 H new ATOM 0 HG2 ARG A 56 -25.066 -16.742 0.040 1.00 34.22 H new ATOM 0 HG3 ARG A 56 -24.577 -16.925 -1.632 1.00 34.22 H new ATOM 0 HD2 ARG A 56 -22.410 -17.993 -0.740 1.00 54.55 H new ATOM 0 HD3 ARG A 56 -23.185 -18.034 0.831 1.00 54.55 H new ATOM 0 HE ARG A 56 -25.010 -19.223 -0.953 1.00 35.30 H new ATOM 0 HH11 ARG A 56 -21.720 -19.814 0.221 1.00 11.20 H new ATOM 0 HH12 ARG A 56 -21.842 -21.563 0.002 1.00 11.20 H new ATOM 0 HH21 ARG A 56 -25.126 -21.458 -1.263 1.00 20.20 H new ATOM 0 HH22 ARG A 56 -23.755 -22.486 -0.832 1.00 20.20 H new ATOM 921 N VAL A 57 -20.593 -14.605 0.732 1.00 12.42 N ATOM 922 CA VAL A 57 -19.461 -13.702 0.644 1.00 2.02 C ATOM 923 C VAL A 57 -18.495 -14.148 -0.438 1.00 2.23 C ATOM 924 O VAL A 57 -18.404 -15.334 -0.755 1.00 24.32 O ATOM 925 CB VAL A 57 -18.703 -13.590 1.987 1.00 60.20 C ATOM 926 CG1 VAL A 57 -19.568 -12.924 3.047 1.00 72.14 C ATOM 927 CG2 VAL A 57 -18.241 -14.958 2.468 1.00 31.22 C ATOM 0 H VAL A 57 -20.350 -15.595 0.692 1.00 12.42 H new ATOM 0 HA VAL A 57 -19.864 -12.721 0.393 1.00 2.02 H new ATOM 0 HB VAL A 57 -17.823 -12.968 1.819 1.00 60.20 H new ATOM 0 HG11 VAL A 57 -19.011 -12.858 3.982 1.00 72.14 H new ATOM 0 HG12 VAL A 57 -19.842 -11.922 2.716 1.00 72.14 H new ATOM 0 HG13 VAL A 57 -20.471 -13.514 3.204 1.00 72.14 H new ATOM 0 HG21 VAL A 57 -17.711 -14.851 3.414 1.00 31.22 H new ATOM 0 HG22 VAL A 57 -19.106 -15.606 2.608 1.00 31.22 H new ATOM 0 HG23 VAL A 57 -17.575 -15.398 1.726 1.00 31.22 H new ATOM 937 N LEU A 58 -17.801 -13.186 -1.015 1.00 64.40 N ATOM 938 CA LEU A 58 -16.753 -13.466 -1.973 1.00 61.34 C ATOM 939 C LEU A 58 -15.410 -13.190 -1.322 1.00 61.51 C ATOM 940 O LEU A 58 -15.169 -12.080 -0.838 1.00 4.43 O ATOM 941 CB LEU A 58 -16.921 -12.594 -3.222 1.00 41.43 C ATOM 942 CG LEU A 58 -15.864 -12.795 -4.315 1.00 3.24 C ATOM 943 CD1 LEU A 58 -15.968 -14.189 -4.913 1.00 31.14 C ATOM 944 CD2 LEU A 58 -16.015 -11.731 -5.394 1.00 2.51 C ATOM 0 H LEU A 58 -17.948 -12.193 -0.833 1.00 64.40 H new ATOM 0 HA LEU A 58 -16.810 -14.511 -2.278 1.00 61.34 H new ATOM 0 HB2 LEU A 58 -17.904 -12.790 -3.651 1.00 41.43 H new ATOM 0 HB3 LEU A 58 -16.909 -11.547 -2.917 1.00 41.43 H new ATOM 0 HG LEU A 58 -14.876 -12.695 -3.866 1.00 3.24 H new ATOM 0 HD11 LEU A 58 -15.209 -14.311 -5.686 1.00 31.14 H new ATOM 0 HD12 LEU A 58 -15.812 -14.933 -4.132 1.00 31.14 H new ATOM 0 HD13 LEU A 58 -16.957 -14.324 -5.351 1.00 31.14 H new ATOM 0 HD21 LEU A 58 -15.259 -11.884 -6.164 1.00 2.51 H new ATOM 0 HD22 LEU A 58 -17.007 -11.803 -5.840 1.00 2.51 H new ATOM 0 HD23 LEU A 58 -15.887 -10.743 -4.951 1.00 2.51 H new ATOM 956 N VAL A 59 -14.554 -14.194 -1.284 1.00 25.30 N ATOM 957 CA VAL A 59 -13.247 -14.043 -0.673 1.00 34.13 C ATOM 958 C VAL A 59 -12.151 -14.117 -1.731 1.00 30.11 C ATOM 959 O VAL A 59 -12.152 -14.997 -2.597 1.00 14.01 O ATOM 960 CB VAL A 59 -13.005 -15.087 0.448 1.00 0.23 C ATOM 961 CG1 VAL A 59 -13.190 -16.502 -0.063 1.00 44.25 C ATOM 962 CG2 VAL A 59 -11.623 -14.914 1.055 1.00 31.53 C ATOM 0 H VAL A 59 -14.740 -15.121 -1.668 1.00 25.30 H new ATOM 0 HA VAL A 59 -13.216 -13.059 -0.206 1.00 34.13 H new ATOM 0 HB VAL A 59 -13.749 -14.914 1.226 1.00 0.23 H new ATOM 0 HG11 VAL A 59 -13.013 -17.208 0.748 1.00 44.25 H new ATOM 0 HG12 VAL A 59 -14.207 -16.624 -0.435 1.00 44.25 H new ATOM 0 HG13 VAL A 59 -12.483 -16.693 -0.871 1.00 44.25 H new ATOM 0 HG21 VAL A 59 -11.474 -15.656 1.839 1.00 31.53 H new ATOM 0 HG22 VAL A 59 -10.867 -15.047 0.281 1.00 31.53 H new ATOM 0 HG23 VAL A 59 -11.535 -13.914 1.481 1.00 31.53 H new ATOM 972 N GLU A 60 -11.246 -13.157 -1.672 1.00 1.30 N ATOM 973 CA GLU A 60 -10.144 -13.068 -2.613 1.00 14.15 C ATOM 974 C GLU A 60 -8.826 -13.328 -1.887 1.00 14.33 C ATOM 975 O GLU A 60 -8.407 -12.538 -1.037 1.00 60.34 O ATOM 976 CB GLU A 60 -10.144 -11.680 -3.266 1.00 12.31 C ATOM 977 CG GLU A 60 -9.005 -11.444 -4.245 1.00 23.44 C ATOM 978 CD GLU A 60 -9.021 -10.043 -4.828 1.00 34.32 C ATOM 979 OE1 GLU A 60 -9.199 -9.908 -6.054 1.00 0.40 O ATOM 980 OE2 GLU A 60 -8.860 -9.069 -4.060 1.00 33.13 O ATOM 0 H GLU A 60 -11.254 -12.417 -0.970 1.00 1.30 H new ATOM 0 HA GLU A 60 -10.260 -13.820 -3.393 1.00 14.15 H new ATOM 0 HB2 GLU A 60 -11.090 -11.538 -3.788 1.00 12.31 H new ATOM 0 HB3 GLU A 60 -10.095 -10.924 -2.483 1.00 12.31 H new ATOM 0 HG2 GLU A 60 -8.054 -11.613 -3.739 1.00 23.44 H new ATOM 0 HG3 GLU A 60 -9.069 -12.172 -5.054 1.00 23.44 H new ATOM 987 N MET A 61 -8.188 -14.447 -2.190 1.00 30.10 N ATOM 988 CA MET A 61 -6.945 -14.806 -1.522 1.00 11.31 C ATOM 989 C MET A 61 -5.981 -15.493 -2.485 1.00 60.43 C ATOM 990 O MET A 61 -6.392 -16.208 -3.393 1.00 61.11 O ATOM 991 CB MET A 61 -7.223 -15.709 -0.310 1.00 31.12 C ATOM 992 CG MET A 61 -7.629 -17.136 -0.659 1.00 62.44 C ATOM 993 SD MET A 61 -9.253 -17.247 -1.434 1.00 42.41 S ATOM 994 CE MET A 61 -9.323 -18.998 -1.799 1.00 4.53 C ATOM 0 H MET A 61 -8.506 -15.119 -2.889 1.00 30.10 H new ATOM 0 HA MET A 61 -6.477 -13.886 -1.172 1.00 11.31 H new ATOM 0 HB2 MET A 61 -6.330 -15.742 0.314 1.00 31.12 H new ATOM 0 HB3 MET A 61 -8.014 -15.257 0.289 1.00 31.12 H new ATOM 0 HG2 MET A 61 -6.884 -17.564 -1.330 1.00 62.44 H new ATOM 0 HG3 MET A 61 -7.625 -17.740 0.249 1.00 62.44 H new ATOM 0 HE1 MET A 61 -10.043 -19.175 -2.598 1.00 4.53 H new ATOM 0 HE2 MET A 61 -8.339 -19.343 -2.115 1.00 4.53 H new ATOM 0 HE3 MET A 61 -9.630 -19.544 -0.907 1.00 4.53 H new ATOM 1004 N SER A 62 -4.697 -15.255 -2.292 1.00 11.15 N ATOM 1005 CA SER A 62 -3.673 -15.866 -3.118 1.00 54.24 C ATOM 1006 C SER A 62 -3.323 -17.257 -2.589 1.00 44.10 C ATOM 1007 O SER A 62 -3.257 -17.470 -1.380 1.00 51.45 O ATOM 1008 CB SER A 62 -2.422 -14.989 -3.124 1.00 52.31 C ATOM 1009 OG SER A 62 -2.759 -13.626 -3.303 1.00 4.15 O ATOM 0 H SER A 62 -4.337 -14.638 -1.564 1.00 11.15 H new ATOM 0 HA SER A 62 -4.054 -15.961 -4.135 1.00 54.24 H new ATOM 0 HB2 SER A 62 -1.882 -15.114 -2.186 1.00 52.31 H new ATOM 0 HB3 SER A 62 -1.753 -15.310 -3.922 1.00 52.31 H new ATOM 0 HG SER A 62 -1.942 -13.084 -3.302 1.00 4.15 H new ATOM 1015 N ILE A 63 -3.057 -18.181 -3.500 1.00 75.35 N ATOM 1016 CA ILE A 63 -2.785 -19.576 -3.145 1.00 2.03 C ATOM 1017 C ILE A 63 -1.348 -19.743 -2.621 1.00 4.14 C ATOM 1018 O ILE A 63 -0.895 -20.853 -2.338 1.00 25.42 O ATOM 1019 CB ILE A 63 -3.007 -20.527 -4.358 1.00 11.10 C ATOM 1020 CG1 ILE A 63 -4.251 -20.128 -5.169 1.00 53.32 C ATOM 1021 CG2 ILE A 63 -3.153 -21.969 -3.888 1.00 33.41 C ATOM 1022 CD1 ILE A 63 -3.998 -19.052 -6.210 1.00 4.44 C ATOM 0 H ILE A 63 -3.022 -17.992 -4.502 1.00 75.35 H new ATOM 0 HA ILE A 63 -3.487 -19.846 -2.356 1.00 2.03 H new ATOM 0 HB ILE A 63 -2.131 -20.439 -5.001 1.00 11.10 H new ATOM 0 HG12 ILE A 63 -4.645 -21.014 -5.667 1.00 53.32 H new ATOM 0 HG13 ILE A 63 -5.022 -19.779 -4.482 1.00 53.32 H new ATOM 0 HG21 ILE A 63 -3.307 -22.619 -4.750 1.00 33.41 H new ATOM 0 HG22 ILE A 63 -2.248 -22.273 -3.361 1.00 33.41 H new ATOM 0 HG23 ILE A 63 -4.008 -22.048 -3.216 1.00 33.41 H new ATOM 0 HD11 ILE A 63 -4.926 -18.830 -6.737 1.00 4.44 H new ATOM 0 HD12 ILE A 63 -3.634 -18.149 -5.719 1.00 4.44 H new ATOM 0 HD13 ILE A 63 -3.252 -19.403 -6.923 1.00 4.44 H new ATOM 1034 N TYR A 64 -0.632 -18.633 -2.494 1.00 11.14 N ATOM 1035 CA TYR A 64 0.767 -18.670 -2.082 1.00 23.43 C ATOM 1036 C TYR A 64 0.925 -18.938 -0.582 1.00 1.01 C ATOM 1037 O TYR A 64 1.049 -20.087 -0.167 1.00 25.41 O ATOM 1038 CB TYR A 64 1.485 -17.376 -2.479 1.00 35.31 C ATOM 1039 CG TYR A 64 1.645 -17.210 -3.975 1.00 32.44 C ATOM 1040 CD1 TYR A 64 2.629 -17.905 -4.667 1.00 30.24 C ATOM 1041 CD2 TYR A 64 0.808 -16.368 -4.697 1.00 62.25 C ATOM 1042 CE1 TYR A 64 2.778 -17.764 -6.033 1.00 75.40 C ATOM 1043 CE2 TYR A 64 0.948 -16.222 -6.065 1.00 13.35 C ATOM 1044 CZ TYR A 64 1.936 -16.922 -6.728 1.00 61.41 C ATOM 1045 OH TYR A 64 2.082 -16.782 -8.091 1.00 53.25 O ATOM 0 H TYR A 64 -0.996 -17.696 -2.670 1.00 11.14 H new ATOM 0 HA TYR A 64 1.232 -19.504 -2.607 1.00 23.43 H new ATOM 0 HB2 TYR A 64 0.929 -16.525 -2.084 1.00 35.31 H new ATOM 0 HB3 TYR A 64 2.470 -17.358 -2.012 1.00 35.31 H new ATOM 0 HD1 TYR A 64 3.289 -18.567 -4.127 1.00 30.24 H new ATOM 0 HD2 TYR A 64 0.035 -15.818 -4.181 1.00 62.25 H new ATOM 0 HE1 TYR A 64 3.550 -18.311 -6.554 1.00 75.40 H new ATOM 0 HE2 TYR A 64 0.288 -15.564 -6.611 1.00 13.35 H new ATOM 0 HH TYR A 64 1.410 -16.154 -8.429 1.00 53.25 H new ATOM 1055 N ASP A 65 0.927 -17.888 0.234 1.00 2.13 N ATOM 1056 CA ASP A 65 1.167 -18.062 1.668 1.00 31.41 C ATOM 1057 C ASP A 65 0.437 -17.029 2.520 1.00 3.40 C ATOM 1058 O ASP A 65 -0.436 -17.382 3.306 1.00 22.13 O ATOM 1059 CB ASP A 65 2.663 -18.012 1.977 1.00 40.44 C ATOM 1060 CG ASP A 65 2.934 -17.942 3.467 1.00 14.21 C ATOM 1061 OD1 ASP A 65 2.736 -18.956 4.167 1.00 64.13 O ATOM 1062 OD2 ASP A 65 3.341 -16.866 3.945 1.00 73.43 O ATOM 0 H ASP A 65 0.769 -16.925 -0.062 1.00 2.13 H new ATOM 0 HA ASP A 65 0.769 -19.043 1.927 1.00 31.41 H new ATOM 0 HB2 ASP A 65 3.149 -18.895 1.561 1.00 40.44 H new ATOM 0 HB3 ASP A 65 3.105 -17.145 1.487 1.00 40.44 H new ATOM 1067 N ARG A 66 0.805 -15.756 2.367 1.00 62.24 N ATOM 1068 CA ARG A 66 0.251 -14.688 3.205 1.00 41.34 C ATOM 1069 C ARG A 66 -1.273 -14.627 3.115 1.00 72.53 C ATOM 1070 O ARG A 66 -1.946 -14.277 4.081 1.00 14.41 O ATOM 1071 CB ARG A 66 0.852 -13.318 2.842 1.00 31.22 C ATOM 1072 CG ARG A 66 0.739 -12.946 1.369 1.00 15.22 C ATOM 1073 CD ARG A 66 1.975 -13.369 0.589 1.00 63.32 C ATOM 1074 NE ARG A 66 3.151 -12.585 0.960 1.00 65.43 N ATOM 1075 CZ ARG A 66 4.383 -13.084 1.067 1.00 70.40 C ATOM 1076 NH1 ARG A 66 4.598 -14.377 0.860 1.00 11.20 N ATOM 1077 NH2 ARG A 66 5.397 -12.285 1.380 1.00 63.53 N ATOM 0 H ARG A 66 1.482 -15.439 1.673 1.00 62.24 H new ATOM 0 HA ARG A 66 0.523 -14.927 4.233 1.00 41.34 H new ATOM 0 HB2 ARG A 66 0.357 -12.550 3.436 1.00 31.22 H new ATOM 0 HB3 ARG A 66 1.905 -13.311 3.125 1.00 31.22 H new ATOM 0 HG2 ARG A 66 -0.143 -13.421 0.940 1.00 15.22 H new ATOM 0 HG3 ARG A 66 0.599 -11.869 1.275 1.00 15.22 H new ATOM 0 HD2 ARG A 66 2.173 -14.426 0.768 1.00 63.32 H new ATOM 0 HD3 ARG A 66 1.786 -13.256 -0.479 1.00 63.32 H new ATOM 0 HE ARG A 66 3.021 -11.591 1.149 1.00 65.43 H new ATOM 0 HH11 ARG A 66 3.820 -14.991 0.619 1.00 11.20 H new ATOM 0 HH12 ARG A 66 5.541 -14.757 0.942 1.00 11.20 H new ATOM 0 HH21 ARG A 66 5.233 -11.291 1.538 1.00 63.53 H new ATOM 0 HH22 ARG A 66 6.340 -12.666 1.462 1.00 63.53 H new ATOM 1091 N ASN A 67 -1.812 -14.949 1.949 1.00 21.41 N ATOM 1092 CA ASN A 67 -3.258 -14.963 1.759 1.00 71.41 C ATOM 1093 C ASN A 67 -3.813 -16.388 1.791 1.00 53.42 C ATOM 1094 O ASN A 67 -4.951 -16.622 1.405 1.00 0.33 O ATOM 1095 CB ASN A 67 -3.631 -14.286 0.438 1.00 43.35 C ATOM 1096 CG ASN A 67 -3.357 -12.789 0.434 1.00 33.01 C ATOM 1097 OD1 ASN A 67 -3.428 -12.126 1.468 1.00 1.21 O ATOM 1098 ND2 ASN A 67 -3.041 -12.245 -0.734 1.00 20.31 N ATOM 0 H ASN A 67 -1.273 -15.204 1.121 1.00 21.41 H new ATOM 0 HA ASN A 67 -3.704 -14.407 2.584 1.00 71.41 H new ATOM 0 HB2 ASN A 67 -3.072 -14.753 -0.373 1.00 43.35 H new ATOM 0 HB3 ASN A 67 -4.689 -14.456 0.236 1.00 43.35 H new ATOM 0 HD21 ASN A 67 -2.847 -11.245 -0.795 1.00 20.31 H new ATOM 0 HD22 ASN A 67 -2.992 -12.826 -1.571 1.00 20.31 H new ATOM 1105 N ALA A 68 -3.017 -17.340 2.261 1.00 41.02 N ATOM 1106 CA ALA A 68 -3.414 -18.745 2.210 1.00 14.15 C ATOM 1107 C ALA A 68 -4.263 -19.141 3.414 1.00 33.24 C ATOM 1108 O ALA A 68 -5.138 -20.002 3.304 1.00 43.13 O ATOM 1109 CB ALA A 68 -2.191 -19.644 2.106 1.00 3.13 C ATOM 0 H ALA A 68 -2.102 -17.170 2.678 1.00 41.02 H new ATOM 0 HA ALA A 68 -4.027 -18.876 1.318 1.00 14.15 H new ATOM 0 HB1 ALA A 68 -2.508 -20.686 2.069 1.00 3.13 H new ATOM 0 HB2 ALA A 68 -1.637 -19.401 1.199 1.00 3.13 H new ATOM 0 HB3 ALA A 68 -1.551 -19.490 2.975 1.00 3.13 H new ATOM 1115 N LYS A 69 -4.003 -18.525 4.560 1.00 64.35 N ATOM 1116 CA LYS A 69 -4.764 -18.826 5.767 1.00 40.24 C ATOM 1117 C LYS A 69 -5.825 -17.761 6.001 1.00 50.22 C ATOM 1118 O LYS A 69 -6.926 -18.061 6.460 1.00 62.14 O ATOM 1119 CB LYS A 69 -3.857 -18.930 6.999 1.00 74.34 C ATOM 1120 CG LYS A 69 -2.831 -20.052 6.932 1.00 71.32 C ATOM 1121 CD LYS A 69 -1.610 -19.657 6.114 1.00 21.22 C ATOM 1122 CE LYS A 69 -0.558 -20.750 6.131 1.00 10.02 C ATOM 1123 NZ LYS A 69 0.741 -20.285 5.574 1.00 64.42 N1+ ATOM 0 H LYS A 69 -3.277 -17.819 4.680 1.00 64.35 H new ATOM 0 HA LYS A 69 -5.244 -19.793 5.618 1.00 40.24 H new ATOM 0 HB2 LYS A 69 -3.334 -17.983 7.131 1.00 74.34 H new ATOM 0 HB3 LYS A 69 -4.479 -19.076 7.882 1.00 74.34 H new ATOM 0 HG2 LYS A 69 -2.520 -20.320 7.942 1.00 71.32 H new ATOM 0 HG3 LYS A 69 -3.290 -20.938 6.494 1.00 71.32 H new ATOM 0 HD2 LYS A 69 -1.909 -19.453 5.086 1.00 21.22 H new ATOM 0 HD3 LYS A 69 -1.186 -18.735 6.512 1.00 21.22 H new ATOM 0 HE2 LYS A 69 -0.411 -21.095 7.154 1.00 10.02 H new ATOM 0 HE3 LYS A 69 -0.914 -21.604 5.555 1.00 10.02 H new ATOM 0 HZ1 LYS A 69 1.199 -21.066 5.062 1.00 64.42 H new ATOM 0 HZ2 LYS A 69 0.575 -19.493 4.920 1.00 64.42 H new ATOM 0 HZ3 LYS A 69 1.358 -19.970 6.349 1.00 64.42 H new ATOM 1137 N LYS A 70 -5.471 -16.515 5.702 1.00 43.24 N ATOM 1138 CA LYS A 70 -6.413 -15.407 5.761 1.00 34.44 C ATOM 1139 C LYS A 70 -6.555 -14.754 4.397 1.00 23.25 C ATOM 1140 O LYS A 70 -5.560 -14.426 3.748 1.00 42.21 O ATOM 1141 CB LYS A 70 -5.975 -14.346 6.773 1.00 33.24 C ATOM 1142 CG LYS A 70 -6.357 -14.648 8.211 1.00 22.21 C ATOM 1143 CD LYS A 70 -5.281 -15.430 8.939 1.00 25.04 C ATOM 1144 CE LYS A 70 -5.639 -15.607 10.405 1.00 53.40 C ATOM 1145 NZ LYS A 70 -5.947 -14.308 11.065 1.00 24.50 N1+ ATOM 0 H LYS A 70 -4.530 -16.248 5.414 1.00 43.24 H new ATOM 0 HA LYS A 70 -7.371 -15.820 6.077 1.00 34.44 H new ATOM 0 HB2 LYS A 70 -4.893 -14.232 6.715 1.00 33.24 H new ATOM 0 HB3 LYS A 70 -6.412 -13.389 6.488 1.00 33.24 H new ATOM 0 HG2 LYS A 70 -6.544 -13.713 8.739 1.00 22.21 H new ATOM 0 HG3 LYS A 70 -7.288 -15.214 8.226 1.00 22.21 H new ATOM 0 HD2 LYS A 70 -5.155 -16.406 8.471 1.00 25.04 H new ATOM 0 HD3 LYS A 70 -4.327 -14.910 8.854 1.00 25.04 H new ATOM 0 HE2 LYS A 70 -6.500 -16.270 10.490 1.00 53.40 H new ATOM 0 HE3 LYS A 70 -4.812 -16.090 10.924 1.00 53.40 H new ATOM 0 HZ1 LYS A 70 -6.036 -14.452 12.091 1.00 24.50 H new ATOM 0 HZ2 LYS A 70 -5.180 -13.632 10.876 1.00 24.50 H new ATOM 0 HZ3 LYS A 70 -6.841 -13.931 10.690 1.00 24.50 H new ATOM 1159 N GLY A 71 -7.789 -14.556 3.978 1.00 34.41 N ATOM 1160 CA GLY A 71 -8.050 -13.858 2.740 1.00 52.11 C ATOM 1161 C GLY A 71 -8.823 -12.581 2.982 1.00 74.22 C ATOM 1162 O GLY A 71 -9.219 -12.299 4.116 1.00 0.40 O ATOM 0 H GLY A 71 -8.623 -14.868 4.476 1.00 34.41 H new ATOM 0 HA2 GLY A 71 -7.107 -13.627 2.245 1.00 52.11 H new ATOM 0 HA3 GLY A 71 -8.613 -14.505 2.067 1.00 52.11 H new ATOM 1166 N ARG A 72 -9.034 -11.796 1.938 1.00 24.43 N ATOM 1167 CA ARG A 72 -9.805 -10.574 2.066 1.00 15.44 C ATOM 1168 C ARG A 72 -11.261 -10.842 1.710 1.00 31.21 C ATOM 1169 O ARG A 72 -11.571 -11.364 0.638 1.00 32.12 O ATOM 1170 CB ARG A 72 -9.222 -9.460 1.189 1.00 55.44 C ATOM 1171 CG ARG A 72 -9.272 -9.751 -0.301 1.00 3.04 C ATOM 1172 CD ARG A 72 -8.645 -8.634 -1.112 1.00 10.52 C ATOM 1173 NE ARG A 72 -7.221 -8.469 -0.819 1.00 60.42 N ATOM 1174 CZ ARG A 72 -6.313 -8.128 -1.730 1.00 74.11 C ATOM 1175 NH1 ARG A 72 -6.651 -8.035 -3.011 1.00 44.50 N ATOM 1176 NH2 ARG A 72 -5.054 -7.927 -1.363 1.00 52.41 N ATOM 0 H ARG A 72 -8.684 -11.983 0.998 1.00 24.43 H new ATOM 0 HA ARG A 72 -9.754 -10.236 3.101 1.00 15.44 H new ATOM 0 HB2 ARG A 72 -9.765 -8.536 1.386 1.00 55.44 H new ATOM 0 HB3 ARG A 72 -8.186 -9.289 1.480 1.00 55.44 H new ATOM 0 HG2 ARG A 72 -8.752 -10.686 -0.507 1.00 3.04 H new ATOM 0 HG3 ARG A 72 -10.308 -9.888 -0.610 1.00 3.04 H new ATOM 0 HD2 ARG A 72 -8.774 -8.842 -2.174 1.00 10.52 H new ATOM 0 HD3 ARG A 72 -9.167 -7.700 -0.905 1.00 10.52 H new ATOM 0 HE ARG A 72 -6.906 -8.624 0.139 1.00 60.42 H new ATOM 0 HH11 ARG A 72 -7.610 -8.225 -3.300 1.00 44.50 H new ATOM 0 HH12 ARG A 72 -5.951 -7.773 -3.705 1.00 44.50 H new ATOM 0 HH21 ARG A 72 -4.785 -8.034 -0.385 1.00 52.41 H new ATOM 0 HH22 ARG A 72 -4.355 -7.666 -2.059 1.00 52.41 H new ATOM 1190 N ILE A 73 -12.143 -10.509 2.631 1.00 31.43 N ATOM 1191 CA ILE A 73 -13.566 -10.718 2.441 1.00 52.53 C ATOM 1192 C ILE A 73 -14.261 -9.383 2.195 1.00 31.31 C ATOM 1193 O ILE A 73 -13.944 -8.387 2.848 1.00 42.42 O ATOM 1194 CB ILE A 73 -14.190 -11.424 3.672 1.00 55.32 C ATOM 1195 CG1 ILE A 73 -15.712 -11.530 3.529 1.00 2.52 C ATOM 1196 CG2 ILE A 73 -13.818 -10.694 4.954 1.00 72.14 C ATOM 1197 CD1 ILE A 73 -16.396 -12.161 4.724 1.00 10.34 C ATOM 0 H ILE A 73 -11.897 -10.088 3.527 1.00 31.43 H new ATOM 0 HA ILE A 73 -13.706 -11.360 1.571 1.00 52.53 H new ATOM 0 HB ILE A 73 -13.786 -12.435 3.724 1.00 55.32 H new ATOM 0 HG12 ILE A 73 -16.123 -10.533 3.372 1.00 2.52 H new ATOM 0 HG13 ILE A 73 -15.944 -12.115 2.639 1.00 2.52 H new ATOM 0 HG21 ILE A 73 -14.265 -11.205 5.807 1.00 72.14 H new ATOM 0 HG22 ILE A 73 -12.734 -10.684 5.065 1.00 72.14 H new ATOM 0 HG23 ILE A 73 -14.188 -9.670 4.910 1.00 72.14 H new ATOM 0 HD11 ILE A 73 -17.471 -12.201 4.549 1.00 10.34 H new ATOM 0 HD12 ILE A 73 -16.014 -13.171 4.870 1.00 10.34 H new ATOM 0 HD13 ILE A 73 -16.196 -11.565 5.614 1.00 10.34 H new ATOM 1209 N ILE A 74 -15.173 -9.349 1.232 1.00 0.20 N ATOM 1210 CA ILE A 74 -15.930 -8.136 0.965 1.00 60.51 C ATOM 1211 C ILE A 74 -17.438 -8.374 1.131 1.00 75.04 C ATOM 1212 O ILE A 74 -18.038 -7.861 2.072 1.00 55.02 O ATOM 1213 CB ILE A 74 -15.601 -7.571 -0.445 1.00 74.22 C ATOM 1214 CG1 ILE A 74 -16.566 -6.441 -0.821 1.00 70.54 C ATOM 1215 CG2 ILE A 74 -15.607 -8.672 -1.504 1.00 64.03 C ATOM 1216 CD1 ILE A 74 -16.248 -5.782 -2.147 1.00 32.30 C ATOM 0 H ILE A 74 -15.404 -10.139 0.629 1.00 0.20 H new ATOM 0 HA ILE A 74 -15.631 -7.389 1.700 1.00 60.51 H new ATOM 0 HB ILE A 74 -14.593 -7.157 -0.408 1.00 74.22 H new ATOM 0 HG12 ILE A 74 -17.580 -6.839 -0.858 1.00 70.54 H new ATOM 0 HG13 ILE A 74 -16.548 -5.685 -0.036 1.00 70.54 H new ATOM 0 HG21 ILE A 74 -15.373 -8.242 -2.478 1.00 64.03 H new ATOM 0 HG22 ILE A 74 -14.860 -9.424 -1.251 1.00 64.03 H new ATOM 0 HG23 ILE A 74 -16.592 -9.137 -1.540 1.00 64.03 H new ATOM 0 HD11 ILE A 74 -16.974 -4.993 -2.344 1.00 32.30 H new ATOM 0 HD12 ILE A 74 -15.247 -5.353 -2.109 1.00 32.30 H new ATOM 0 HD13 ILE A 74 -16.294 -6.525 -2.943 1.00 32.30 H new ATOM 1228 N ARG A 75 -18.035 -9.172 0.245 1.00 45.22 N ATOM 1229 CA ARG A 75 -19.450 -9.541 0.338 1.00 23.51 C ATOM 1230 C ARG A 75 -19.848 -10.332 -0.903 1.00 45.24 C ATOM 1231 O ARG A 75 -19.032 -10.523 -1.805 1.00 10.32 O ATOM 1232 CB ARG A 75 -20.375 -8.321 0.477 1.00 4.20 C ATOM 1233 CG ARG A 75 -21.718 -8.677 1.101 1.00 13.22 C ATOM 1234 CD ARG A 75 -22.843 -7.792 0.604 1.00 32.00 C ATOM 1235 NE ARG A 75 -24.149 -8.355 0.940 1.00 4.31 N ATOM 1236 CZ ARG A 75 -25.297 -7.699 0.837 1.00 72.11 C ATOM 1237 NH1 ARG A 75 -25.314 -6.433 0.437 1.00 14.51 N ATOM 1238 NH2 ARG A 75 -26.428 -8.315 1.142 1.00 53.51 N ATOM 0 H ARG A 75 -17.553 -9.581 -0.556 1.00 45.22 H new ATOM 0 HA ARG A 75 -19.568 -10.144 1.239 1.00 23.51 H new ATOM 0 HB2 ARG A 75 -19.883 -7.564 1.088 1.00 4.20 H new ATOM 0 HB3 ARG A 75 -20.540 -7.880 -0.506 1.00 4.20 H new ATOM 0 HG2 ARG A 75 -21.954 -9.718 0.878 1.00 13.22 H new ATOM 0 HG3 ARG A 75 -21.645 -8.592 2.185 1.00 13.22 H new ATOM 0 HD2 ARG A 75 -22.749 -6.799 1.043 1.00 32.00 H new ATOM 0 HD3 ARG A 75 -22.764 -7.671 -0.476 1.00 32.00 H new ATOM 0 HE ARG A 75 -24.180 -9.317 1.276 1.00 4.31 H new ATOM 0 HH11 ARG A 75 -24.441 -5.959 0.207 1.00 14.51 H new ATOM 0 HH12 ARG A 75 -26.200 -5.934 0.360 1.00 14.51 H new ATOM 0 HH21 ARG A 75 -26.412 -9.286 1.453 1.00 53.51 H new ATOM 0 HH22 ARG A 75 -27.316 -7.819 1.066 1.00 53.51 H new ATOM 1252 N ARG A 76 -21.086 -10.807 -0.929 1.00 23.23 N ATOM 1253 CA ARG A 76 -21.648 -11.445 -2.111 1.00 3.33 C ATOM 1254 C ARG A 76 -21.862 -10.416 -3.211 1.00 14.10 C ATOM 1255 O ARG A 76 -22.071 -9.230 -2.937 1.00 42.11 O ATOM 1256 CB ARG A 76 -23.014 -12.069 -1.809 1.00 21.22 C ATOM 1257 CG ARG A 76 -24.133 -11.033 -1.767 1.00 5.33 C ATOM 1258 CD ARG A 76 -25.437 -11.578 -2.319 1.00 40.44 C ATOM 1259 NE ARG A 76 -26.177 -12.332 -1.312 1.00 32.34 N ATOM 1260 CZ ARG A 76 -27.319 -12.975 -1.536 1.00 53.05 C ATOM 1261 NH1 ARG A 76 -27.898 -12.945 -2.728 1.00 21.31 N ATOM 1262 NH2 ARG A 76 -27.895 -13.637 -0.546 1.00 71.24 N ATOM 0 H ARG A 76 -21.726 -10.761 -0.136 1.00 23.23 H new ATOM 0 HA ARG A 76 -20.943 -12.216 -2.423 1.00 3.33 H new ATOM 0 HB2 ARG A 76 -23.244 -12.817 -2.568 1.00 21.22 H new ATOM 0 HB3 ARG A 76 -22.969 -12.589 -0.852 1.00 21.22 H new ATOM 0 HG2 ARG A 76 -24.284 -10.705 -0.739 1.00 5.33 H new ATOM 0 HG3 ARG A 76 -23.836 -10.155 -2.341 1.00 5.33 H new ATOM 0 HD2 ARG A 76 -26.052 -10.754 -2.681 1.00 40.44 H new ATOM 0 HD3 ARG A 76 -25.230 -12.220 -3.175 1.00 40.44 H new ATOM 0 HE ARG A 76 -25.790 -12.368 -0.369 1.00 32.34 H new ATOM 0 HH11 ARG A 76 -27.467 -12.423 -3.491 1.00 21.31 H new ATOM 0 HH12 ARG A 76 -28.774 -13.444 -2.882 1.00 21.31 H new ATOM 0 HH21 ARG A 76 -27.463 -13.651 0.378 1.00 71.24 H new ATOM 0 HH22 ARG A 76 -28.771 -14.134 -0.707 1.00 71.24 H new ATOM 1276 N LEU A 77 -21.779 -10.864 -4.445 1.00 50.43 N ATOM 1277 CA LEU A 77 -22.236 -10.067 -5.564 1.00 73.23 C ATOM 1278 C LEU A 77 -23.005 -10.969 -6.518 1.00 11.03 C ATOM 1279 O LEU A 77 -23.093 -12.177 -6.288 1.00 21.35 O ATOM 1280 CB LEU A 77 -21.067 -9.401 -6.289 1.00 33.40 C ATOM 1281 CG LEU A 77 -21.468 -8.221 -7.171 1.00 54.25 C ATOM 1282 CD1 LEU A 77 -21.766 -6.997 -6.317 1.00 71.21 C ATOM 1283 CD2 LEU A 77 -20.391 -7.923 -8.204 1.00 42.42 C ATOM 0 H LEU A 77 -21.399 -11.776 -4.699 1.00 50.43 H new ATOM 0 HA LEU A 77 -22.883 -9.271 -5.195 1.00 73.23 H new ATOM 0 HB2 LEU A 77 -20.343 -9.058 -5.549 1.00 33.40 H new ATOM 0 HB3 LEU A 77 -20.564 -10.146 -6.905 1.00 33.40 H new ATOM 0 HG LEU A 77 -22.377 -8.488 -7.711 1.00 54.25 H new ATOM 0 HD11 LEU A 77 -22.050 -6.165 -6.961 1.00 71.21 H new ATOM 0 HD12 LEU A 77 -22.584 -7.222 -5.632 1.00 71.21 H new ATOM 0 HD13 LEU A 77 -20.878 -6.727 -5.746 1.00 71.21 H new ATOM 0 HD21 LEU A 77 -20.701 -7.078 -8.820 1.00 42.42 H new ATOM 0 HD22 LEU A 77 -19.458 -7.679 -7.697 1.00 42.42 H new ATOM 0 HD23 LEU A 77 -20.242 -8.798 -8.837 1.00 42.42 H new ATOM 1295 N LYS A 78 -23.571 -10.396 -7.572 1.00 22.43 N ATOM 1296 CA LYS A 78 -24.253 -11.190 -8.581 1.00 12.52 C ATOM 1297 C LYS A 78 -23.232 -12.033 -9.335 1.00 25.21 C ATOM 1298 O LYS A 78 -22.431 -11.515 -10.115 1.00 14.15 O ATOM 1299 CB LYS A 78 -25.050 -10.285 -9.529 1.00 31.42 C ATOM 1300 CG LYS A 78 -26.529 -10.186 -9.172 1.00 45.21 C ATOM 1301 CD LYS A 78 -26.750 -9.874 -7.697 1.00 52.02 C ATOM 1302 CE LYS A 78 -26.386 -8.441 -7.347 1.00 12.25 C ATOM 1303 NZ LYS A 78 -27.361 -7.464 -7.894 1.00 22.22 N1+ ATOM 0 H LYS A 78 -23.571 -9.391 -7.749 1.00 22.43 H new ATOM 0 HA LYS A 78 -24.965 -11.860 -8.100 1.00 12.52 H new ATOM 0 HB2 LYS A 78 -24.614 -9.286 -9.518 1.00 31.42 H new ATOM 0 HB3 LYS A 78 -24.954 -10.664 -10.547 1.00 31.42 H new ATOM 0 HG2 LYS A 78 -26.995 -9.410 -9.779 1.00 45.21 H new ATOM 0 HG3 LYS A 78 -27.024 -11.125 -9.420 1.00 45.21 H new ATOM 0 HD2 LYS A 78 -27.795 -10.053 -7.443 1.00 52.02 H new ATOM 0 HD3 LYS A 78 -26.154 -10.556 -7.091 1.00 52.02 H new ATOM 0 HE2 LYS A 78 -26.337 -8.335 -6.263 1.00 12.25 H new ATOM 0 HE3 LYS A 78 -25.392 -8.216 -7.734 1.00 12.25 H new ATOM 0 HZ1 LYS A 78 -27.151 -6.517 -7.520 1.00 22.22 H new ATOM 0 HZ2 LYS A 78 -27.293 -7.449 -8.932 1.00 22.22 H new ATOM 0 HZ3 LYS A 78 -28.324 -7.741 -7.614 1.00 22.22 H new ATOM 1317 N GLY A 79 -23.273 -13.337 -9.090 1.00 51.03 N ATOM 1318 CA GLY A 79 -22.213 -14.216 -9.538 1.00 62.42 C ATOM 1319 C GLY A 79 -22.368 -14.676 -10.969 1.00 65.44 C ATOM 1320 O GLY A 79 -22.582 -15.859 -11.226 1.00 11.42 O ATOM 0 H GLY A 79 -24.027 -13.803 -8.585 1.00 51.03 H new ATOM 0 HA2 GLY A 79 -21.258 -13.702 -9.433 1.00 62.42 H new ATOM 0 HA3 GLY A 79 -22.178 -15.089 -8.887 1.00 62.42 H new ATOM 1324 N THR A 80 -22.264 -13.753 -11.903 1.00 42.43 N ATOM 1325 CA THR A 80 -22.250 -14.116 -13.304 1.00 43.33 C ATOM 1326 C THR A 80 -20.823 -14.498 -13.715 1.00 50.41 C ATOM 1327 O THR A 80 -19.983 -13.643 -14.001 1.00 72.13 O ATOM 1328 CB THR A 80 -22.817 -12.984 -14.199 1.00 2.52 C ATOM 1329 OG1 THR A 80 -22.699 -13.339 -15.580 1.00 33.43 O ATOM 1330 CG2 THR A 80 -22.123 -11.650 -13.941 1.00 11.32 C ATOM 0 H THR A 80 -22.188 -12.753 -11.719 1.00 42.43 H new ATOM 0 HA THR A 80 -22.903 -14.977 -13.448 1.00 43.33 H new ATOM 0 HB THR A 80 -23.870 -12.863 -13.944 1.00 2.52 H new ATOM 0 HG1 THR A 80 -23.062 -12.618 -16.135 1.00 33.43 H new ATOM 0 HG21 THR A 80 -22.551 -10.886 -14.589 1.00 11.32 H new ATOM 0 HG22 THR A 80 -22.263 -11.362 -12.899 1.00 11.32 H new ATOM 0 HG23 THR A 80 -21.058 -11.748 -14.150 1.00 11.32 H new ATOM 1338 N SER A 81 -20.536 -15.793 -13.682 1.00 23.15 N ATOM 1339 CA SER A 81 -19.186 -16.280 -13.925 1.00 50.25 C ATOM 1340 C SER A 81 -19.183 -17.420 -14.940 1.00 12.54 C ATOM 1341 O SER A 81 -20.224 -18.009 -15.230 1.00 40.35 O ATOM 1342 CB SER A 81 -18.563 -16.733 -12.605 1.00 70.30 C ATOM 1343 OG SER A 81 -18.597 -15.687 -11.650 1.00 34.50 O ATOM 0 H SER A 81 -21.220 -16.524 -13.489 1.00 23.15 H new ATOM 0 HA SER A 81 -18.592 -15.468 -14.344 1.00 50.25 H new ATOM 0 HB2 SER A 81 -19.101 -17.600 -12.222 1.00 70.30 H new ATOM 0 HB3 SER A 81 -17.532 -17.046 -12.772 1.00 70.30 H new ATOM 0 HG SER A 81 -18.195 -15.997 -10.811 1.00 34.50 H new ATOM 1349 N ASP A 82 -17.995 -17.753 -15.433 1.00 44.10 N ATOM 1350 CA ASP A 82 -17.823 -18.705 -16.536 1.00 50.14 C ATOM 1351 C ASP A 82 -18.169 -20.141 -16.141 1.00 1.13 C ATOM 1352 O ASP A 82 -18.068 -21.056 -16.957 1.00 3.42 O ATOM 1353 CB ASP A 82 -16.376 -18.650 -17.036 1.00 3.41 C ATOM 1354 CG ASP A 82 -15.370 -19.124 -15.996 1.00 63.32 C ATOM 1355 OD1 ASP A 82 -15.213 -18.447 -14.954 1.00 35.42 O ATOM 1356 OD2 ASP A 82 -14.717 -20.164 -16.219 1.00 34.24 O ATOM 0 H ASP A 82 -17.117 -17.371 -15.080 1.00 44.10 H new ATOM 0 HA ASP A 82 -18.516 -18.412 -17.324 1.00 50.14 H new ATOM 0 HB2 ASP A 82 -16.283 -19.265 -17.931 1.00 3.41 H new ATOM 0 HB3 ASP A 82 -16.136 -17.627 -17.326 1.00 3.41 H new ATOM 1361 N ARG A 83 -18.598 -20.323 -14.904 1.00 23.30 N ATOM 1362 CA ARG A 83 -18.859 -21.649 -14.361 1.00 71.31 C ATOM 1363 C ARG A 83 -20.011 -22.358 -15.081 1.00 54.30 C ATOM 1364 O ARG A 83 -20.003 -23.583 -15.194 1.00 4.24 O ATOM 1365 CB ARG A 83 -19.152 -21.551 -12.858 1.00 44.32 C ATOM 1366 CG ARG A 83 -20.445 -20.825 -12.523 1.00 2.05 C ATOM 1367 CD ARG A 83 -20.260 -19.870 -11.356 1.00 44.45 C ATOM 1368 NE ARG A 83 -21.533 -19.338 -10.876 1.00 2.52 N ATOM 1369 CZ ARG A 83 -21.661 -18.610 -9.768 1.00 22.41 C ATOM 1370 NH1 ARG A 83 -20.588 -18.268 -9.073 1.00 5.34 N ATOM 1371 NH2 ARG A 83 -22.863 -18.216 -9.364 1.00 62.14 N ATOM 0 H ARG A 83 -18.775 -19.561 -14.249 1.00 23.30 H new ATOM 0 HA ARG A 83 -17.963 -22.249 -14.522 1.00 71.31 H new ATOM 0 HB2 ARG A 83 -19.194 -22.557 -12.441 1.00 44.32 H new ATOM 0 HB3 ARG A 83 -18.323 -21.038 -12.370 1.00 44.32 H new ATOM 0 HG2 ARG A 83 -20.790 -20.272 -13.396 1.00 2.05 H new ATOM 0 HG3 ARG A 83 -21.220 -21.552 -12.280 1.00 2.05 H new ATOM 0 HD2 ARG A 83 -19.753 -20.387 -10.541 1.00 44.45 H new ATOM 0 HD3 ARG A 83 -19.615 -19.046 -11.661 1.00 44.45 H new ATOM 0 HE ARG A 83 -22.372 -19.535 -11.421 1.00 2.52 H new ATOM 0 HH11 ARG A 83 -19.663 -18.562 -9.386 1.00 5.34 H new ATOM 0 HH12 ARG A 83 -20.686 -17.710 -8.225 1.00 5.34 H new ATOM 0 HH21 ARG A 83 -23.691 -18.471 -9.903 1.00 62.14 H new ATOM 0 HH22 ARG A 83 -22.958 -17.659 -8.515 1.00 62.14 H new ATOM 1385 N THR A 84 -21.010 -21.610 -15.551 1.00 31.32 N ATOM 1386 CA THR A 84 -22.164 -22.231 -16.205 1.00 34.31 C ATOM 1387 C THR A 84 -22.871 -21.260 -17.164 1.00 20.11 C ATOM 1388 O THR A 84 -24.023 -21.467 -17.538 1.00 23.32 O ATOM 1389 CB THR A 84 -23.181 -22.749 -15.157 1.00 11.24 C ATOM 1390 OG1 THR A 84 -22.485 -23.324 -14.041 1.00 60.03 O ATOM 1391 CG2 THR A 84 -24.098 -23.809 -15.756 1.00 10.31 C ATOM 0 H THR A 84 -21.045 -20.592 -15.494 1.00 31.32 H new ATOM 0 HA THR A 84 -21.782 -23.071 -16.786 1.00 34.31 H new ATOM 0 HB THR A 84 -23.782 -21.900 -14.832 1.00 11.24 H new ATOM 0 HG1 THR A 84 -23.134 -23.648 -13.382 1.00 60.03 H new ATOM 0 HG21 THR A 84 -24.800 -24.153 -14.997 1.00 10.31 H new ATOM 0 HG22 THR A 84 -24.649 -23.382 -16.594 1.00 10.31 H new ATOM 0 HG23 THR A 84 -23.501 -24.651 -16.106 1.00 10.31 H new ATOM 1399 N ILE A 85 -22.174 -20.218 -17.599 1.00 30.12 N ATOM 1400 CA ILE A 85 -22.778 -19.245 -18.514 1.00 65.20 C ATOM 1401 C ILE A 85 -22.627 -19.687 -19.966 1.00 34.40 C ATOM 1402 O ILE A 85 -22.682 -18.876 -20.886 1.00 4.23 O ATOM 1403 CB ILE A 85 -22.180 -17.831 -18.348 1.00 13.55 C ATOM 1404 CG1 ILE A 85 -20.653 -17.869 -18.496 1.00 11.31 C ATOM 1405 CG2 ILE A 85 -22.590 -17.232 -17.008 1.00 3.34 C ATOM 1406 CD1 ILE A 85 -20.005 -16.500 -18.461 1.00 14.22 C ATOM 0 H ILE A 85 -21.207 -20.022 -17.342 1.00 30.12 H new ATOM 0 HA ILE A 85 -23.836 -19.200 -18.255 1.00 65.20 H new ATOM 0 HB ILE A 85 -22.576 -17.191 -19.137 1.00 13.55 H new ATOM 0 HG12 ILE A 85 -20.234 -18.480 -17.697 1.00 11.31 H new ATOM 0 HG13 ILE A 85 -20.400 -18.357 -19.437 1.00 11.31 H new ATOM 0 HG21 ILE A 85 -22.160 -16.236 -16.908 1.00 3.34 H new ATOM 0 HG22 ILE A 85 -23.677 -17.165 -16.957 1.00 3.34 H new ATOM 0 HG23 ILE A 85 -22.227 -17.867 -16.199 1.00 3.34 H new ATOM 0 HD11 ILE A 85 -18.926 -16.605 -18.571 1.00 14.22 H new ATOM 0 HD12 ILE A 85 -20.395 -15.892 -19.277 1.00 14.22 H new ATOM 0 HD13 ILE A 85 -20.227 -16.017 -17.510 1.00 14.22 H new ATOM 1418 N SER A 86 -22.456 -20.984 -20.164 1.00 34.45 N ATOM 1419 CA SER A 86 -22.323 -21.541 -21.498 1.00 53.53 C ATOM 1420 C SER A 86 -23.353 -22.644 -21.710 1.00 4.03 C ATOM 1421 O SER A 86 -23.251 -23.440 -22.643 1.00 1.21 O ATOM 1422 CB SER A 86 -20.911 -22.084 -21.698 1.00 31.21 C ATOM 1423 OG SER A 86 -19.940 -21.125 -21.305 1.00 14.30 O ATOM 0 H SER A 86 -22.406 -21.673 -19.413 1.00 34.45 H new ATOM 0 HA SER A 86 -22.501 -20.754 -22.231 1.00 53.53 H new ATOM 0 HB2 SER A 86 -20.782 -22.997 -21.117 1.00 31.21 H new ATOM 0 HB3 SER A 86 -20.764 -22.349 -22.745 1.00 31.21 H new ATOM 0 HG SER A 86 -19.042 -21.494 -21.440 1.00 14.30 H new ATOM 1429 N LYS A 87 -24.352 -22.672 -20.839 1.00 11.45 N ATOM 1430 CA LYS A 87 -25.409 -23.665 -20.912 1.00 65.12 C ATOM 1431 C LYS A 87 -26.680 -23.117 -20.278 1.00 50.35 C ATOM 1432 O LYS A 87 -27.599 -22.726 -21.026 1.00 74.35 O ATOM 1433 CB LYS A 87 -24.979 -24.958 -20.215 1.00 62.40 C ATOM 1434 CG LYS A 87 -26.040 -26.047 -20.237 1.00 20.21 C ATOM 1435 CD LYS A 87 -25.553 -27.317 -19.560 1.00 21.43 C ATOM 1436 CE LYS A 87 -25.132 -27.063 -18.122 1.00 40.43 C ATOM 1437 NZ LYS A 87 -24.616 -28.297 -17.477 1.00 32.04 N1+ ATOM 1438 OXT LYS A 87 -26.748 -23.054 -19.031 1.00 0.00 O ATOM 0 H LYS A 87 -24.451 -22.011 -20.068 1.00 11.45 H new ATOM 0 HA LYS A 87 -25.607 -23.891 -21.960 1.00 65.12 H new ATOM 0 HB2 LYS A 87 -24.075 -25.335 -20.693 1.00 62.40 H new ATOM 0 HB3 LYS A 87 -24.722 -24.734 -19.180 1.00 62.40 H new ATOM 0 HG2 LYS A 87 -26.940 -25.689 -19.736 1.00 20.21 H new ATOM 0 HG3 LYS A 87 -26.315 -26.267 -21.269 1.00 20.21 H new ATOM 0 HD2 LYS A 87 -26.344 -28.066 -19.580 1.00 21.43 H new ATOM 0 HD3 LYS A 87 -24.711 -27.727 -20.118 1.00 21.43 H new ATOM 0 HE2 LYS A 87 -24.363 -26.291 -18.098 1.00 40.43 H new ATOM 0 HE3 LYS A 87 -25.982 -26.684 -17.555 1.00 40.43 H new ATOM 0 HZ1 LYS A 87 -24.338 -28.086 -16.497 1.00 32.04 H new ATOM 0 HZ2 LYS A 87 -25.358 -29.025 -17.478 1.00 32.04 H new ATOM 0 HZ3 LYS A 87 -23.790 -28.645 -18.004 1.00 32.04 H new TER 1452 LYS A 87